N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide

C27H28N4O2 — CID 46864663

IUPACN,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(ccn2C)c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1
InChIInChI=1S/C27H28N4O2/c1-30-17-14-21-19-22(11-12-25(21)30)27(33)31(2)23(18-20-8-4-3-5-9-20)13-16-29-26(32)24-10-6-7-15-28-24/h3-12,14-15,17,19,23H,13,16,18H2,1-2H3,(H,29,32)
InChIKeyUUROLZQYGYBCEY-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.08
Rot. Bonds8

About N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide

N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide (PubChem CID 46864663) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide
PubChem CID46864663
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(ccn2C)c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1
InChIInChI=1S/C27H28N4O2/c1-30-17-14-21-19-22(11-12-25(21)30)27(33)31(2)23(18-20-8-4-3-5-9-20)13-16-29-26(32)24-10-6-7-15-28-24/h3-12,14-15,17,19,23H,13,16,18H2,1-2H3,(H,29,32)
InChIKeyUUROLZQYGYBCEY-UHFFFAOYSA-N
XLogP4.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-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-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864903
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-[3-[1,3-benzodioxole-5-carbonyl(methyl)amino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 46864581
N-[(3S)-3-[1,3-benzodioxole-5-carbonyl(methyl)amino]-4-phenylbutyl]-1-methylindole-2-carboxamide
CID 59475148
6-methyl-N-[3-[methyl(quinoxaline-6-carbonyl)amino]-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67248601
4,6-dichloro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87324298
4,6-dichloro-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87329161
N,2-dimethyl-N-[4-[(6-methylpyridine-2-carbonyl)amino]-1-phenylbutan-2-yl]pyrimidine-4-carboxamide
CID 67248249
1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide
CID 67247612
N-[3-[(3-imidazol-1-ylbenzoyl)-methylamino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 67246740

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide (CID 46864663) is N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide is CN(C(=O)c1ccc2c(ccn2C)c1)C(CCNC(=O)c1ccccn1)Cc1ccccc1.
What is the InChIKey of N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide?
The InChIKey is UUROLZQYGYBCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-30-17-14-21-19-22(11-12-25(21)30)27(33)31(2)23(18-20-8-4-3-5-9-20)13-16-29-26(32)24-10-6-7-15-28-24/h3-12,14-15,17,19,23H,13,16,18H2,1-2H3,(H,29,32).
What are the key properties of N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide?
N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide is sourced from PubChem (CID 46864663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).