N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide

C22H23N3O — CID 84574553

IUPACN-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O/c1-16(2)24-20-15-19(13-14-23-20)22(26)25-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3,(H,23,24)(H,25,26)
InChIKeyIGWTYJLIWBOSPO-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.42
Rot. Bonds6

About N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide

N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide (PubChem CID 84574553) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide
PubChem CID84574553
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide
SMILESCC(C)Nc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O/c1-16(2)24-20-15-19(13-14-23-20)22(26)25-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3,(H,23,24)(H,25,26)
InChIKeyIGWTYJLIWBOSPO-UHFFFAOYSA-N
XLogP4.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74247011
N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 84575194
N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170167
2-(2-methoxyethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166864
N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170171
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
2-(3-bromoanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170111
N-benzhydryl-1-methylbenzimidazole-5-carboxamide
CID 100775960

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide?
The IUPAC name of N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide (CID 84574553) is N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide?
The canonical SMILES for N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide is CC(C)Nc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccn1.
What is the InChIKey of N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide?
The InChIKey is IGWTYJLIWBOSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16(2)24-20-15-19(13-14-23-20)22(26)25-21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide?
N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide is sourced from PubChem (CID 84574553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).