1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide

C17H20N6O2 — CID 42945059

IUPAC1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H20N6O2/c24-16-7-12(9-22(16)14-3-1-2-4-14)17(25)21-13-5-6-15(19-8-13)23-11-18-10-20-23/h5-6,8,10-12,14H,1-4,7,9H2,(H,21,25)
InChIKeyKCSDLACDTCFOCN-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.39
Rot. Bonds4

About 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide

1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 42945059) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID42945059
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H20N6O2/c24-16-7-12(9-22(16)14-3-1-2-4-14)17(25)21-13-5-6-15(19-8-13)23-11-18-10-20-23/h5-6,8,10-12,14H,1-4,7,9H2,(H,21,25)
InChIKeyKCSDLACDTCFOCN-UHFFFAOYSA-N
XLogP1.39
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 166240278
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
1-(4-chlorobenzoyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 55561062
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3S)-1-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydroisochromene-3-carboxamide
CID 30765877
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
1-cyclopentyl-5-oxo-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrrolidine-3-carboxamide
CID 167778979
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
1-cyclobutyl-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687616

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide (CID 42945059) is 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is KCSDLACDTCFOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-16-7-12(9-22(16)14-3-1-2-4-14)17(25)21-13-5-6-15(19-8-13)23-11-18-10-20-23/h5-6,8,10-12,14H,1-4,7,9H2,(H,21,25).
What are the key properties of 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide?
1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42945059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).