2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide

C28H32N4O3 — CID 60622370

IUPAC2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C28H32N4O3/c1-2-3-14-25(28(35)29-21-12-9-13-22(19-21)32-17-7-8-18-32)31-27(34)23-15-16-24(30-26(23)33)20-10-5-4-6-11-20/h4-6,9-13,15-16,19,25H,2-3,7-8,14,17-18H2,1H3,(H,29,35)(H,30,33)(H,31,34)
InChIKeySOHZMLTUDXWXTL-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.57
Rot. Bonds9

About 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide

2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 60622370) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID60622370
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C28H32N4O3/c1-2-3-14-25(28(35)29-21-12-9-13-22(19-21)32-17-7-8-18-32)31-27(34)23-15-16-24(30-26(23)33)20-10-5-4-6-11-20/h4-6,9-13,15-16,19,25H,2-3,7-8,14,17-18H2,1H3,(H,29,35)(H,30,33)(H,31,34)
InChIKeySOHZMLTUDXWXTL-UHFFFAOYSA-N
XLogP4.57
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 60622222
6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
CID 60622282
(2S)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 95766947
3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 47093383
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 60622642
2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 119107045
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
6-fluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1H-benzimidazole-4-carboxamide
CID 52526858
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119872875

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide (CID 60622370) is 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide is CCCCC(NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is SOHZMLTUDXWXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-2-3-14-25(28(35)29-21-12-9-13-22(19-21)32-17-7-8-18-32)31-27(34)23-15-16-24(30-26(23)33)20-10-5-4-6-11-20/h4-6,9-13,15-16,19,25H,2-3,7-8,14,17-18H2,1H3,(H,29,35)(H,30,33)(H,31,34).
What are the key properties of 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide?
2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 4.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60622370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).