5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide

C20H17N5O — CID 167894502

IUPAC5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide
SMILESNCc1cncc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c1
InChIInChI=1S/C20H17N5O/c21-10-14-8-15(12-22-11-14)20(26)24-16-6-7-19-18(9-16)23-13-25(19)17-4-2-1-3-5-17/h1-9,11-13H,10,21H2,(H,24,26)
InChIKeyUZIIVHYKSVGOQH-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.13
Rot. Bonds4

About 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide

5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide (PubChem CID 167894502) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide
PubChem CID167894502
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide
SMILESNCc1cncc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c1
InChIInChI=1S/C20H17N5O/c21-10-14-8-15(12-22-11-14)20(26)24-16-6-7-19-18(9-16)23-13-25(19)17-4-2-1-3-5-17/h1-9,11-13H,10,21H2,(H,24,26)
InChIKeyUZIIVHYKSVGOQH-UHFFFAOYSA-N
XLogP3.13
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165
3-(hydroxymethyl)-5-oxo-5-[(1-phenylbenzimidazol-5-yl)amino]pentanoic acid
CID 166434630
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 166363555
4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide
CID 60610861
3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
CID 1077763
N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 55168003
ethyl N-[2-[[(E)-3-[4-[(1-phenylbenzimidazole-5-carbonyl)amino]phenyl]prop-2-enoyl]amino]phenyl]carbamate
CID 171714521
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
5-nitro-2-[(1-phenylbenzimidazol-5-yl)amino]pyridine-3-carboxamide
CID 133384840

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide (CID 167894502) is 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide is NCc1cncc(C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c1.
What is the InChIKey of 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide?
The InChIKey is UZIIVHYKSVGOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-10-14-8-15(12-22-11-14)20(26)24-16-6-7-19-18(9-16)23-13-25(19)17-4-2-1-3-5-17/h1-9,11-13H,10,21H2,(H,24,26).
What are the key properties of 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide?
5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167894502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).