6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide

C17H15N5O — CID 90650149

IUPAC6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCn1c(CNC(=O)c2ccc(C#N)nc2)nc2ccccc21
InChIInChI=1S/C17H15N5O/c1-2-22-15-6-4-3-5-14(15)21-16(22)11-20-17(23)12-7-8-13(9-18)19-10-12/h3-8,10H,2,11H2,1H3,(H,20,23)
InChIKeyRZFNKPCXNNNCMQ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.25
Rot. Bonds4

About 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide

6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 90650149) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID90650149
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCn1c(CNC(=O)c2ccc(C#N)nc2)nc2ccccc21
InChIInChI=1S/C17H15N5O/c1-2-22-15-6-4-3-5-14(15)21-16(22)11-20-17(23)12-7-8-13(9-18)19-10-12/h3-8,10H,2,11H2,1H3,(H,20,23)
InChIKeyRZFNKPCXNNNCMQ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 55408900
N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55408980
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 90650149) is 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide is CCn1c(CNC(=O)c2ccc(C#N)nc2)nc2ccccc21.
What is the InChIKey of 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RZFNKPCXNNNCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-2-22-15-6-4-3-5-14(15)21-16(22)11-20-17(23)12-7-8-13(9-18)19-10-12/h3-8,10H,2,11H2,1H3,(H,20,23).
What are the key properties of 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(1-ethylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90650149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).