1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C24H21ClN4O3 — CID 55783616

IUPAC1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C24H21ClN4O3/c25-18-6-4-9-21(13-18)29-15-17(12-22(29)30)24(32)28-19-8-3-5-16(11-19)23(31)27-14-20-7-1-2-10-26-20/h1-11,13,17H,12,14-15H2,(H,27,31)(H,28,32)
InChIKeyXPHPJNNJNXLDDQ-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.66
Rot. Bonds6

About 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55783616) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55783616
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC Name1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C24H21ClN4O3/c25-18-6-4-9-21(13-18)29-15-17(12-22(29)30)24(32)28-19-8-3-5-16(11-19)23(31)27-14-20-7-1-2-10-26-20/h1-11,13,17H,12,14-15H2,(H,27,31)(H,28,32)
InChIKeyXPHPJNNJNXLDDQ-UHFFFAOYSA-N
XLogP3.66
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55783688
N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844713
(3S)-N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058153
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide
CID 166340166
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
1-[3-(difluoromethyl)phenyl]-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 166541592
1-(2,6-dichlorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191249
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3R)-1-(3-chlorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2236459
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
(3S)-5-oxo-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39044737

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 55783616) is 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCc1ccccn1)c1cccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3)C2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XPHPJNNJNXLDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c25-18-6-4-9-21(13-18)29-15-17(12-22(29)30)24(32)28-19-8-3-5-16(11-19)23(31)27-14-20-7-1-2-10-26-20/h1-11,13,17H,12,14-15H2,(H,27,31)(H,28,32).
What are the key properties of 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 448.91 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55783616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).