N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C21H24ClN3O3 — CID 92634631

IUPACN-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)c1ccc(=O)n(CC(=O)N2CCCC2)c1
InChIInChI=1S/C21H24ClN3O3/c22-18-8-5-16(6-9-18)4-3-11-23-21(28)17-7-10-19(26)25(14-17)15-20(27)24-12-1-2-13-24/h5-10,14H,1-4,11-13,15H2,(H,23,28)
InChIKeyITPAPWKRLMAJCM-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.49
Rot. Bonds7

About N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 92634631) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID92634631
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)c1ccc(=O)n(CC(=O)N2CCCC2)c1
InChIInChI=1S/C21H24ClN3O3/c22-18-8-5-16(6-9-18)4-3-11-23-21(28)17-7-10-19(26)25(14-17)15-20(27)24-12-1-2-13-24/h5-10,14H,1-4,11-13,15H2,(H,23,28)
InChIKeyITPAPWKRLMAJCM-UHFFFAOYSA-N
XLogP2.49
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)-2-methylpropyl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92634467
N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681854
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 92635600
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 92635716
3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 109055683

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 92634631) is N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCCc1ccc(Cl)cc1)c1ccc(=O)n(CC(=O)N2CCCC2)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is ITPAPWKRLMAJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-18-8-5-16(6-9-18)4-3-11-23-21(28)17-7-10-19(26)25(14-17)15-20(27)24-12-1-2-13-24/h5-10,14H,1-4,11-13,15H2,(H,23,28).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 401.89 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 92634631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).