3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide

C26H19N7O2 — CID 135886380

IUPAC3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc3[nH]c(-c4c(NCc5ccccn5)cc[nH]c4=O)nc23)c1
InChIInChI=1S/C26H19N7O2/c27-14-16-5-3-6-17(13-16)25(34)32-21-9-4-8-20-23(21)33-24(31-20)22-19(10-12-29-26(22)35)30-15-18-7-1-2-11-28-18/h1-13H,15H2,(H,31,33)(H,32,34)(H2,29,30,35)
InChIKeyRJSKQHBKFJRYPH-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.05
Rot. Bonds6

About 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide

3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide (PubChem CID 135886380) has the molecular formula C26H19N7O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
PubChem CID135886380
Molecular FormulaC26H19N7O2
Molecular Weight461.49 g/mol
Exact Mass461.16
IUPAC Name3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc3[nH]c(-c4c(NCc5ccccn5)cc[nH]c4=O)nc23)c1
InChIInChI=1S/C26H19N7O2/c27-14-16-5-3-6-17(13-16)25(34)32-21-9-4-8-20-23(21)33-24(31-20)22-19(10-12-29-26(22)35)30-15-18-7-1-2-11-28-18/h1-13H,15H2,(H,31,33)(H,32,34)(H2,29,30,35)
InChIKeyRJSKQHBKFJRYPH-UHFFFAOYSA-N
XLogP4.05
TPSA139.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-[2-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
CID 135954728
3-(6-fluoro-5-imidazol-1-yl-1H-benzimidazol-2-yl)-4-(pyridin-2-ylmethylamino)-1H-pyridin-2-one
CID 135681589
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
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CID 43369330
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CID 109157732
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-cyanobenzamide
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3-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 60930495
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 111338613
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
CID 38999846

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide?
The IUPAC name of 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide (CID 135886380) is 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide?
The canonical SMILES for 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide is N#Cc1cccc(C(=O)Nc2cccc3[nH]c(-c4c(NCc5ccccn5)cc[nH]c4=O)nc23)c1.
What is the InChIKey of 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide?
The InChIKey is RJSKQHBKFJRYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O2/c27-14-16-5-3-6-17(13-16)25(34)32-21-9-4-8-20-23(21)33-24(31-20)22-19(10-12-29-26(22)35)30-15-18-7-1-2-11-28-18/h1-13H,15H2,(H,31,33)(H,32,34)(H2,29,30,35).
What are the key properties of 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide?
3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide has a molecular weight of 461.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-[2-oxo-4-(pyridin-2-ylmethylamino)-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide is sourced from PubChem (CID 135886380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).