N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide

C18H13N5O — CID 53368586

IUPACN-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccncc1
InChIInChI=1S/C18H13N5O/c24-18(12-6-9-19-10-7-12)21-13-4-5-14-16(11-13)23-17(22-14)15-3-1-2-8-20-15/h1-11H,(H,21,24)(H,22,23)
InChIKeyLMTWZAXKESEJCM-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.27
Rot. Bonds3

About N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide

N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide (PubChem CID 53368586) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
PubChem CID53368586
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC NameN-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccncc1
InChIInChI=1S/C18H13N5O/c24-18(12-6-9-19-10-7-12)21-13-4-5-14-16(11-13)23-17(22-14)15-3-1-2-8-20-15/h1-11H,(H,21,24)(H,22,23)
InChIKeyLMTWZAXKESEJCM-UHFFFAOYSA-N
XLogP3.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)benzamide
CID 56762590
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
1-methyl-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)imidazole-4-carboxamide
CID 122156351
2-methoxy-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
CID 56762292
6-[[2-(dimethylamino)acetyl]amino]-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 143254703
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47066056
2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
CID 7044978
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368058
N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 10149852
N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 142813059
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide (CID 53368586) is N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide is O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccncc1.
What is the InChIKey of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The InChIKey is LMTWZAXKESEJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c24-18(12-6-9-19-10-7-12)21-13-4-5-14-16(11-13)23-17(22-14)15-3-1-2-8-20-15/h1-11H,(H,21,24)(H,22,23).
What are the key properties of N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 53368586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).