Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

1CM : Summary

Code

1CM

One-letter code

X

Molecule name

(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2-phenyl-N-pyridin-4-ylbutanamide
OpenEye OEToolkits 1.5.0 (2R)-2-phenyl-N-pyridin-4-yl-butanamide

Formula

C15 H16 N2 O

Formal charge

0

Molecular weight

240.3 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc1ccncc1)C(c2ccccc2)CC
SMILES CACTVS 3.341 CC[CH](C(=O)Nc1ccncc1)c2ccccc2
SMILES OpenEye OEToolkits 1.5.0 CCC(c1ccccc1)C(=O)Nc2ccncc2
Canonical SMILES CACTVS 3.341 CC[C@@H](C(=O)Nc1ccncc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 CC[C@H](c1ccccc1)C(=O)Nc2ccncc2

IUPAC InChI

InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18)/t14-/m1/s1

IUPAC InChI key

MODBYAQUXXEFRM-CQSZACIVSA-N
1CM

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-03-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned