N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C19H17ClN6O2 — CID 156584180

IUPACN-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2Cl)n1)C1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C19H17ClN6O2/c20-15-7-2-1-6-14(15)17-22-19(25-24-17)23-18(28)12-9-16(27)26(10-12)11-13-5-3-4-8-21-13/h1-8,12H,9-11H2,(H2,22,23,24,25,28)
InChIKeyOVRZAYNSTLYPNV-UHFFFAOYSA-N
MW396.84 g/mol
LogP2.51
Rot. Bonds5

About N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 156584180) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID156584180
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC NameN-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2Cl)n1)C1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C19H17ClN6O2/c20-15-7-2-1-6-14(15)17-22-19(25-24-17)23-18(28)12-9-16(27)26(10-12)11-13-5-3-4-8-21-13/h1-8,12H,9-11H2,(H2,22,23,24,25,28)
InChIKeyOVRZAYNSTLYPNV-UHFFFAOYSA-N
XLogP2.51
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 75808688
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55873682
(3S)-5-oxo-1-(pyridin-2-ylmethyl)-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 94081377
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38497587
(3R)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38825226
methyl 4-chloro-3-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 55811455
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55810881
N-[4-(diethylamino)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183968
1-benzyl-N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 86207016
(3R)-N-(5-methyl-2-pyridinyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38418060
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46969064

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 156584180) is N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)C1CC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is OVRZAYNSTLYPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c20-15-7-2-1-6-14(15)17-22-19(25-24-17)23-18(28)12-9-16(27)26(10-12)11-13-5-3-4-8-21-13/h1-8,12H,9-11H2,(H2,22,23,24,25,28).
What are the key properties of N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 396.84 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 156584180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).