N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide

C25H27N3O3 — CID 59475160

IUPACN-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)N(C)[C@H](CCNC(=O)c2ccccn2)Cc2ccccc2)c1
InChIInChI=1S/C25H27N3O3/c1-28(25(30)20-11-8-12-22(18-20)31-2)21(17-19-9-4-3-5-10-19)14-16-27-24(29)23-13-6-7-15-26-23/h3-13,15,18,21H,14,16-17H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyVFHIMNSTRFSTEL-OAQYLSRUSA-N
MW417.51 g/mol
LogP3.59
Rot. Bonds9

About N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide

N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide (PubChem CID 59475160) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
PubChem CID59475160
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)N(C)[C@H](CCNC(=O)c2ccccn2)Cc2ccccc2)c1
InChIInChI=1S/C25H27N3O3/c1-28(25(30)20-11-8-12-22(18-20)31-2)21(17-19-9-4-3-5-10-19)14-16-27-24(29)23-13-6-7-15-26-23/h3-13,15,18,21H,14,16-17H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyVFHIMNSTRFSTEL-OAQYLSRUSA-N
XLogP3.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864752
N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864903
N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide
CID 46864663
N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide
CID 59475209
N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide
CID 59475150
N,2-dimethyl-N-[4-[(6-methylpyridine-2-carbonyl)amino]-1-phenylbutan-2-yl]pyrimidine-4-carboxamide
CID 67248249
2-[3-[methyl(1-phenylbutan-2-yl)carbamoyl]phenoxy]acetic acid
CID 119186656
N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide
CID 66553142
N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide
CID 46864706
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
6-methyl-N-[3-[methyl(quinoxaline-6-carbonyl)amino]-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67248601
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide (CID 59475160) is N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide is COc1cccc(C(=O)N(C)[C@H](CCNC(=O)c2ccccn2)Cc2ccccc2)c1.
What is the InChIKey of N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide?
The InChIKey is VFHIMNSTRFSTEL-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-28(25(30)20-11-8-12-22(18-20)31-2)21(17-19-9-4-3-5-10-19)14-16-27-24(29)23-13-6-7-15-26-23/h3-13,15,18,21H,14,16-17H2,1-2H3,(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide?
N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide is sourced from PubChem (CID 59475160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).