3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H22N4O — CID 134800490

IUPAC3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2nnc(C3CCCC3)n2c1
InChIInChI=1S/C16H22N4O/c1-11(2)9-17-16(21)13-7-8-14-18-19-15(20(14)10-13)12-5-3-4-6-12/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,21)
InChIKeyVIIPQOLXQVJXEM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.77
Rot. Bonds4

About 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134800490) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134800490
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)CNC(=O)c1ccc2nnc(C3CCCC3)n2c1
InChIInChI=1S/C16H22N4O/c1-11(2)9-17-16(21)13-7-8-14-18-19-15(20(14)10-13)12-5-3-4-6-12/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,21)
InChIKeyVIIPQOLXQVJXEM-UHFFFAOYSA-N
XLogP2.77
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 155960972
3-cyclopropyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134797761
N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075471
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134796645
N-cyclopentyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800675
N-propan-2-yl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 118739118
N-(cyclopropylmethyl)-3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657541
N-(2-morpholin-4-ylethyl)-3-[(3R)-1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448223
3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131661552
N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134803137
N-[2-(4-chlorophenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800728

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134800490) is 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)CNC(=O)c1ccc2nnc(C3CCCC3)n2c1.
What is the InChIKey of 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is VIIPQOLXQVJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)9-17-16(21)13-7-8-14-18-19-15(20(14)10-13)12-5-3-4-6-12/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,21).
What are the key properties of 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134800490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).