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

C15H15N5O — CID 112523669

IUPAC2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccnc(CN)c3)cc2[nH]1
InChIInChI=1S/C15H15N5O/c1-9-18-13-3-2-11(7-14(13)19-9)20-15(21)10-4-5-17-12(6-10)8-16/h2-7H,8,16H2,1H3,(H,18,19)(H,20,21)
InChIKeyDJJJAQRZCQHQQR-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.98
Rot. Bonds3

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

2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide (PubChem CID 112523669) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
PubChem CID112523669
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)c3ccnc(CN)c3)cc2[nH]1
InChIInChI=1S/C15H15N5O/c1-9-18-13-3-2-11(7-14(13)19-9)20-15(21)10-4-5-17-12(6-10)8-16/h2-7H,8,16H2,1H3,(H,18,19)(H,20,21)
InChIKeyDJJJAQRZCQHQQR-UHFFFAOYSA-N
XLogP1.98
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526138
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 114325497
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide
CID 112523655
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide (CID 112523669) is 2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide is Cc1nc2ccc(NC(=O)c3ccnc(CN)c3)cc2[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The InChIKey is DJJJAQRZCQHQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9-18-13-3-2-11(7-14(13)19-9)20-15(21)10-4-5-17-12(6-10)8-16/h2-7H,8,16H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112523669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).