N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide

C26H25N3O3 — CID 46864903

IUPACN-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc2occc2c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1
InChIInChI=1S/C26H25N3O3/c1-29(26(31)21-10-11-24-20(18-21)13-16-32-24)22(17-19-7-3-2-4-8-19)12-15-28-25(30)23-9-5-6-14-27-23/h2-11,13-14,16,18,22H,12,15,17H2,1H3,(H,28,30)
InChIKeyLDCNMIGWSAFCHK-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.33
Rot. Bonds8

About N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide

N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide (PubChem CID 46864903) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide
PubChem CID46864903
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc2occc2c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1
InChIInChI=1S/C26H25N3O3/c1-29(26(31)21-10-11-24-20(18-21)13-16-32-24)22(17-19-7-3-2-4-8-19)12-15-28-25(30)23-9-5-6-14-27-23/h2-11,13-14,16,18,22H,12,15,17H2,1H3,(H,28,30)
InChIKeyLDCNMIGWSAFCHK-UHFFFAOYSA-N
XLogP4.33
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide
CID 46864663
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
N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide
CID 59475209
N,2-dimethyl-N-[4-[(6-methylpyridine-2-carbonyl)amino]-1-phenylbutan-2-yl]pyrimidine-4-carboxamide
CID 67248249
N-methyl-N-pyridin-2-yl-1-benzofuran-5-carboxamide
CID 141014022
N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide
CID 67262261
N-[(3S)-3-[1,3-benzodioxole-5-carbonyl(methyl)amino]-4-phenylbutyl]-1-methylindole-2-carboxamide
CID 59475148
N-[3-[1,3-benzodioxole-5-carbonyl(methyl)amino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 46864581
N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide
CID 59475150
1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide
CID 67247612
N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide
CID 53250073

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide (CID 46864903) is N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide is CN(C(=O)c1ccc2occc2c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1.
What is the InChIKey of N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide?
The InChIKey is LDCNMIGWSAFCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-29(26(31)21-10-11-24-20(18-21)13-16-32-24)22(17-19-7-3-2-4-8-19)12-15-28-25(30)23-9-5-6-14-27-23/h2-11,13-14,16,18,22H,12,15,17H2,1H3,(H,28,30).
What are the key properties of N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide?
N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide is sourced from PubChem (CID 46864903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).