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

C24H24ClN3O2 — CID 55763588

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCCC1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C24H24ClN3O2/c25-19-10-6-9-18(15-19)22(28-13-4-5-14-28)16-26-23(29)20-11-12-21(27-24(20)30)17-7-2-1-3-8-17/h1-3,6-12,15,22H,4-5,13-14,16H2,(H,26,29)(H,27,30)
InChIKeyJSSCKTKFLZCQHK-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.26
Rot. Bonds6

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

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 55763588) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID55763588
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCCC1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C24H24ClN3O2/c25-19-10-6-9-18(15-19)22(28-13-4-5-14-28)16-26-23(29)20-11-12-21(27-24(20)30)17-7-2-1-3-8-17/h1-3,6-12,15,22H,4-5,13-14,16H2,(H,26,29)(H,27,30)
InChIKeyJSSCKTKFLZCQHK-UHFFFAOYSA-N
XLogP4.26
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623981
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 112821597
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide
CID 60553433
2-chloro-4-fluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 26007854
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 60567599
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 166262730
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55658973
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 55763588) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is O=C(NCC(c1cccc(Cl)c1)N1CCCC1)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is JSSCKTKFLZCQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-19-10-6-9-18(15-19)22(28-13-4-5-14-28)16-26-23(29)20-11-12-21(27-24(20)30)17-7-2-1-3-8-17/h1-3,6-12,15,22H,4-5,13-14,16H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55763588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).