N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide

C28H24N6O3 — CID 58708370

IUPACN-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccnc2)c2ccccc21
InChIInChI=1S/C28H24N6O3/c1-33-24-10-4-5-11-25(24)34(28(33)37)17-20-13-12-18(26(35)31-22-9-3-2-8-21(22)29)15-23(20)32-27(36)19-7-6-14-30-16-19/h2-16H,17,29H2,1H3,(H,31,35)(H,32,36)
InChIKeyZFXHPXSRLXBTNP-UHFFFAOYSA-N
MW492.54 g/mol
LogP3.87
Rot. Bonds6

About N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide

N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 58708370) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID58708370
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC NameN-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccnc2)c2ccccc21
InChIInChI=1S/C28H24N6O3/c1-33-24-10-4-5-11-25(24)34(28(33)37)17-20-13-12-18(26(35)31-22-9-3-2-8-21(22)29)15-23(20)32-27(36)19-7-6-14-30-16-19/h2-16H,17,29H2,1H3,(H,31,35)(H,32,36)
InChIKeyZFXHPXSRLXBTNP-UHFFFAOYSA-N
XLogP3.87
TPSA124.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[[3-methyl-2-oxo-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzamide
CID 59127375
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-(2-aminophenyl)-3-methyl-4-[(3-methylindazol-1-yl)methyl]benzamide
CID 59341295
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
CID 78965630
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 58708370) is N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide is Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccnc2)c2ccccc21.
What is the InChIKey of N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZFXHPXSRLXBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c1-33-24-10-4-5-11-25(24)34(28(33)37)17-20-13-12-18(26(35)31-22-9-3-2-8-21(22)29)15-23(20)32-27(36)19-7-6-14-30-16-19/h2-16H,17,29H2,1H3,(H,31,35)(H,32,36).
What are the key properties of N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide?
N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-aminophenyl)carbamoyl]-2-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 58708370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).