5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide

C17H15N5O — CID 167887433

IUPAC5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
SMILESCCCn1c(NC(=O)c2ccc(C#N)cn2)nc2ccccc21
InChIInChI=1S/C17H15N5O/c1-2-9-22-15-6-4-3-5-13(15)20-17(22)21-16(23)14-8-7-12(10-18)11-19-14/h3-8,11H,2,9H2,1H3,(H,20,21,23)
InChIKeyNHIWLDCYURMUNK-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.97
Rot. Bonds4

About 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide

5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide (PubChem CID 167887433) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
PubChem CID167887433
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
SMILESCCCn1c(NC(=O)c2ccc(C#N)cn2)nc2ccccc21
InChIInChI=1S/C17H15N5O/c1-2-9-22-15-6-4-3-5-13(15)20-17(22)21-16(23)14-8-7-12(10-18)11-19-14/h3-8,11H,2,9H2,1H3,(H,20,21,23)
InChIKeyNHIWLDCYURMUNK-UHFFFAOYSA-N
XLogP2.97
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
CID 35279688
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 60563007
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487608
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide (CID 167887433) is 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide is CCCn1c(NC(=O)c2ccc(C#N)cn2)nc2ccccc21.
What is the InChIKey of 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide?
The InChIKey is NHIWLDCYURMUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-2-9-22-15-6-4-3-5-13(15)20-17(22)21-16(23)14-8-7-12(10-18)11-19-14/h3-8,11H,2,9H2,1H3,(H,20,21,23).
What are the key properties of 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide?
5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167887433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).