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

C16H19N5O — CID 166240278

IUPAC2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1CC1C1CCCC1
InChIInChI=1S/C16H19N5O/c22-16(14-7-13(14)11-3-1-2-4-11)20-12-5-6-15(18-8-12)21-10-17-9-19-21/h5-6,8-11,13-14H,1-4,7H2,(H,20,22)
InChIKeyMLNBTSQLZDYZDF-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.43
Rot. Bonds4

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

2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 166240278) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID166240278
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1CC1C1CCCC1
InChIInChI=1S/C16H19N5O/c22-16(14-7-13(14)11-3-1-2-4-11)20-12-5-6-15(18-8-12)21-10-17-9-19-21/h5-6,8-11,13-14H,1-4,7H2,(H,20,22)
InChIKeyMLNBTSQLZDYZDF-UHFFFAOYSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 96501804
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383107
1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 42945059
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383104
(4aS,8aR)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 95126743
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide
CID 39992452
1-(4-chlorobenzoyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 55561062
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 55871239
(3S)-1-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydroisochromene-3-carboxamide
CID 30765877

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 166240278) is 2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)C1CC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is MLNBTSQLZDYZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(14-7-13(14)11-3-1-2-4-11)20-12-5-6-15(18-8-12)21-10-17-9-19-21/h5-6,8-11,13-14H,1-4,7H2,(H,20,22).
What are the key properties of 2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166240278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).