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

C18H20ClN3O2 — CID 39959510

IUPACN-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C18H20ClN3O2/c19-15-8-2-1-6-13(15)16(22-10-3-4-11-22)12-21-18(24)14-7-5-9-20-17(14)23/h1-2,5-9,16H,3-4,10-12H2,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyOCKBSAYAHNAHQM-MRXNPFEDSA-N
MW345.83 g/mol
LogP2.60
Rot. Bonds5

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

N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 39959510) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID39959510
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C18H20ClN3O2/c19-15-8-2-1-6-13(15)16(22-10-3-4-11-22)12-21-18(24)14-7-5-9-20-17(14)23/h1-2,5-9,16H,3-4,10-12H2,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyOCKBSAYAHNAHQM-MRXNPFEDSA-N
XLogP2.60
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 39103122
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 24638619
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 24638668
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43005804
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 42910719
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 51926791
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 35043208
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 39959510) is N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc[nH]c1=O.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OCKBSAYAHNAHQM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-8-2-1-6-13(15)16(22-10-3-4-11-22)12-21-18(24)14-7-5-9-20-17(14)23/h1-2,5-9,16H,3-4,10-12H2,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 39959510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).