(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide

C18H18ClN3O3 — CID 71608952

IUPAC(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1ccncc1
InChIInChI=1S/C18H18ClN3O3/c19-14-3-1-12(2-4-14)10-21-17(24)16-9-15(23)11-22(16)18(25)13-5-7-20-8-6-13/h1-8,15-16,23H,9-11H2,(H,21,24)/t15-,16+/m1/s1
InChIKeyGTNCORIJADRDSQ-CVEARBPZSA-N
MW359.81 g/mol
LogP1.63
Rot. Bonds4

About (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 71608952) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID71608952
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1ccncc1
InChIInChI=1S/C18H18ClN3O3/c19-14-3-1-12(2-4-14)10-21-17(24)16-9-15(23)11-22(16)18(25)13-5-7-20-8-6-13/h1-8,15-16,23H,9-11H2,(H,21,24)/t15-,16+/m1/s1
InChIKeyGTNCORIJADRDSQ-CVEARBPZSA-N
XLogP1.63
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-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

(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 71608949
1-(2-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 77136388
(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 72734417
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[3-[3-(hydroxymethyl)phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 123372926
(2S)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 146357871
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[2-[3-(hydroxymethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 123563649
1-(2-bromo-4-chlorobenzoyl)-N-[[4-(4,5-dihydro-1,3-oxazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 123971615
1-(3-amino-4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
CID 123825810
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2S,4R)-1-[(Z,2E)-5-amino-2-ethylidenepent-3-enoyl]-N-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 146358282
4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61200630
(2S)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[2-(oxolan-3-yloxy)acetyl]pyrrolidine-2-carboxamide
CID 146358146

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide (CID 71608952) is (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)[C@@H]1C[C@@H](O)CN1C(=O)c1ccncc1.
What is the InChIKey of (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is GTNCORIJADRDSQ-CVEARBPZSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-14-3-1-12(2-4-14)10-21-17(24)16-9-15(23)11-22(16)18(25)13-5-7-20-8-6-13/h1-8,15-16,23H,9-11H2,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71608952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).