N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide

C27H27N3O3 — CID 67262261

IUPACN-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC[C@H](Cc2ccccc2)N(C)C(=O)c2coc3ccccc23)n1
InChIInChI=1S/C27H27N3O3/c1-19-9-8-13-24(29-19)26(31)28-16-15-21(17-20-10-4-3-5-11-20)30(2)27(32)23-18-33-25-14-7-6-12-22(23)25/h3-14,18,21H,15-17H2,1-2H3,(H,28,31)/t21-/m1/s1
InChIKeyJEFVYCJJLGXMFX-OAQYLSRUSA-N
MW441.53 g/mol
LogP4.64
Rot. Bonds8

About N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide

N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide (PubChem CID 67262261) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide
PubChem CID67262261
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC[C@H](Cc2ccccc2)N(C)C(=O)c2coc3ccccc23)n1
InChIInChI=1S/C27H27N3O3/c1-19-9-8-13-24(29-19)26(31)28-16-15-21(17-20-10-4-3-5-11-20)30(2)27(32)23-18-33-25-14-7-6-12-22(23)25/h3-14,18,21H,15-17H2,1-2H3,(H,28,31)/t21-/m1/s1
InChIKeyJEFVYCJJLGXMFX-OAQYLSRUSA-N
XLogP4.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-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

N,2-dimethyl-N-[4-[(6-methylpyridine-2-carbonyl)amino]-1-phenylbutan-2-yl]pyrimidine-4-carboxamide
CID 67248249
N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide
CID 59475209
N,2,4-trimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67262252
N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864903
N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67247486
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864752
N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 59475160
6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 37315939
6-methoxy-N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67247731
N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide
CID 53250073
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide (CID 67262261) is N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCC[C@H](Cc2ccccc2)N(C)C(=O)c2coc3ccccc23)n1.
What is the InChIKey of N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide?
The InChIKey is JEFVYCJJLGXMFX-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19-9-8-13-24(29-19)26(31)28-16-15-21(17-20-10-4-3-5-11-20)30(2)27(32)23-18-33-25-14-7-6-12-22(23)25/h3-14,18,21H,15-17H2,1-2H3,(H,28,31)/t21-/m1/s1.
What are the key properties of N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide?
N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 67262261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).