N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide

C21H25N5O — CID 118223792

IUPACN-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3cccc(C)c3n2C2CCCCNC2)ccn1
InChIInChI=1S/C21H25N5O/c1-14-6-5-8-18-19(14)26(17-7-3-4-10-22-13-17)21(24-18)25-20(27)16-9-11-23-15(2)12-16/h5-6,8-9,11-12,17,22H,3-4,7,10,13H2,1-2H3,(H,24,25,27)
InChIKeyIJVMYXOIGKMTTL-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.62
Rot. Bonds3

About N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide

N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide (PubChem CID 118223792) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide
PubChem CID118223792
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3cccc(C)c3n2C2CCCCNC2)ccn1
InChIInChI=1S/C21H25N5O/c1-14-6-5-8-18-19(14)26(17-7-3-4-10-22-13-17)21(24-18)25-20(27)16-9-11-23-15(2)12-16/h5-6,8-9,11-12,17,22H,3-4,7,10,13H2,1-2H3,(H,24,25,27)
InChIKeyIJVMYXOIGKMTTL-UHFFFAOYSA-N
XLogP3.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopentylbenzimidazol-2-yl)-2-methylpyridine-4-carboxamide
CID 136538090
N-[1-(azepan-3-yl)-7-chloro-6-methylbenzimidazol-2-yl]pyridazine-4-carboxamide
CID 118228893
N-[7-chloro-1-[1-[4-(cyclopropylamino)but-2-enoyl]azepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide
CID 123786991
N-[7-chloro-1-[1-[4-(dimethylamino)-4-methylpent-2-enoyl]azepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide
CID 140679989
N-[1-[1-[4-(tert-butylamino)but-2-enoyl]azepan-3-yl]-7-chlorobenzimidazol-2-yl]-2-methylpyridine-4-carboxamide
CID 140679988
2-methyl-N-[7-(oxan-4-yloxy)-1-(1-prop-2-enoylazepan-3-yl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 123194949
N-[7-(1-ethylpiperidin-4-yl)oxy-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide
CID 129290612
tert-butyl N-[(E)-4-[(3R)-3-[7-chloro-2-[(2-methylpyridine-4-carbonyl)amino]benzimidazol-1-yl]azepan-1-yl]-4-oxobut-2-enyl]-N-methylcarbamate
CID 118223855
N-[5-[(3-fluoroazetidin-1-yl)methyl]-7-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide
CID 118223974
tert-butyl 3-[7-chloro-6-methoxy-2-[(2-methylpyridine-4-carbonyl)amino]benzimidazol-1-yl]azepane-1-carboxylate
CID 123878928
N-[1-[(3R)-azepan-3-yl]-7-chloro-5-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide;tert-butyl (3R)-3-[7-chloro-5-methyl-2-[(2-methylpyridine-4-carbonyl)amino]benzimidazol-1-yl]azepane-1-carboxylate;N-[7-chloro-5-methyl-1-[(3R)-1-prop-2-enoylazepan-3-yl]benzimidazol-2-yl]-2-methylpyridine-4-carboxamide;ethenyl formate;methane
CID 161177092
2-(difluoromethoxy)-N-[1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methylbenzimidazol-2-yl]pyridine-4-carboxamide
CID 118224020

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide (CID 118223792) is N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc3cccc(C)c3n2C2CCCCNC2)ccn1.
What is the InChIKey of N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is IJVMYXOIGKMTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-6-5-8-18-19(14)26(17-7-3-4-10-22-13-17)21(24-18)25-20(27)16-9-11-23-15(2)12-16/h5-6,8-9,11-12,17,22H,3-4,7,10,13H2,1-2H3,(H,24,25,27).
What are the key properties of N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide?
N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-3-yl)-7-methylbenzimidazol-2-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 118223792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).