N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide

C23H30N6O2 — CID 172541799

IUPACN-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide
SMILESCN1CCN(Cc2ccc3nc(NC(=O)c4ccncc4)n(CC(C)(C)O)c3c2)CC1
InChIInChI=1S/C23H30N6O2/c1-23(2,31)16-29-20-14-17(15-28-12-10-27(3)11-13-28)4-5-19(20)25-22(29)26-21(30)18-6-8-24-9-7-18/h4-9,14,31H,10-13,15-16H2,1-3H3,(H,25,26,30)
InChIKeyDLGIDTVYQDTIHD-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.20
Rot. Bonds6

About N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide

N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide (PubChem CID 172541799) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide
PubChem CID172541799
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide
SMILESCN1CCN(Cc2ccc3nc(NC(=O)c4ccncc4)n(CC(C)(C)O)c3c2)CC1
InChIInChI=1S/C23H30N6O2/c1-23(2,31)16-29-20-14-17(15-28-12-10-27(3)11-13-28)4-5-19(20)25-22(29)26-21(30)18-6-8-24-9-7-18/h4-9,14,31H,10-13,15-16H2,1-3H3,(H,25,26,30)
InChIKeyDLGIDTVYQDTIHD-UHFFFAOYSA-N
XLogP2.20
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-formyl-3-hydroxyphenoxy)methyl]-N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide
CID 170171319
2-[[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]-N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide
CID 170171315
N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]pyridine-4-carboxamide
CID 56650031
N-[1-(2-hydroxy-2-methylpropyl)-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447719
N-methyl-4-[1-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040418
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methyl-4-pyridinyl)benzamide
CID 71984262
tert-butyl N-[5-[2-amino-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]pentyl]carbamate
CID 166454206
4-[2-[(4-fluorobenzoyl)amino]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]benzimidazol-1-yl]cyclohexane-1-carboxylic acid
CID 66728738
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447834
N-[1-(2-hydroxy-2-methylpropyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 44573502
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
N-[1-[4-(3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cyclohexyl]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]benzimidazol-2-yl]-4-fluorobenzamide;dihydrochloride
CID 66729131

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide (CID 172541799) is N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide is CN1CCN(Cc2ccc3nc(NC(=O)c4ccncc4)n(CC(C)(C)O)c3c2)CC1.
What is the InChIKey of N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide?
The InChIKey is DLGIDTVYQDTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-23(2,31)16-29-20-14-17(15-28-12-10-27(3)11-13-28)4-5-19(20)25-22(29)26-21(30)18-6-8-24-9-7-18/h4-9,14,31H,10-13,15-16H2,1-3H3,(H,25,26,30).
What are the key properties of N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide?
N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 172541799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).