Chemical Components in the PDB

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BV9 : Summary

Code

BV9

One-letter code

X

Molecule name

4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide

Formula

C16 H14 N4 O

Formal charge

0

Molecular weight

278.309 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cn1cc(cn1)c2cncc(c2)c3ccc(cc3)C(N)=O
SMILES OpenEye OEToolkits 2.0.6 Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N
Canonical SMILES CACTVS 3.385 Cn1cc(cn1)c2cncc(c2)c3ccc(cc3)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N

IUPAC InChI

InChI=1S/C16H14N4O/c1-20-10-15(9-19-20)14-6-13(7-18-8-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)

IUPAC InChI key

MUFGPGISRVJPDN-UHFFFAOYSA-N
BV9

wwPDB Information

Atom count

35 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-13

Last modified at

2020-02-07

Status

Released

Obsoleted

Not Assigned