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

C16H13ClN4O — CID 134788032

IUPAC3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2nnc(-c3ccc(Cl)cc3)n2c1
InChIInChI=1S/C16H13ClN4O/c17-12-4-1-10(2-5-12)15-20-19-14-8-3-11(9-21(14)15)16(22)18-13-6-7-13/h1-5,8-9,13H,6-7H2,(H,18,22)
InChIKeyXKAUDLKFJZRKTA-UHFFFAOYSA-N
MW312.76 g/mol
LogP2.94
Rot. Bonds3

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

3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134788032) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134788032
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2nnc(-c3ccc(Cl)cc3)n2c1
InChIInChI=1S/C16H13ClN4O/c17-12-4-1-10(2-5-12)15-20-19-14-8-3-11(9-21(14)15)16(22)18-13-6-7-13/h1-5,8-9,13H,6-7H2,(H,18,22)
InChIKeyXKAUDLKFJZRKTA-UHFFFAOYSA-N
XLogP2.94
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134795570
3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
1-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-cyclopropylpiperidine-4-carboxamide
CID 50783122
N-cyclopropyl-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 112707994
3-chloro-N-cyclohexyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
CID 5130466
N-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799823
3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134801544
N-cyclopentyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800675
N-[1-(2,4-dichlorophenyl)piperidin-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 139007346
8-bromo-2,3-bis(4-chlorophenyl)-N-cyclopropylimidazo[1,2-a]pyridine-6-carboxamide
CID 24742969
N-cyclopropyl-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 166340505

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134788032) is 3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NC1CC1)c1ccc2nnc(-c3ccc(Cl)cc3)n2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is XKAUDLKFJZRKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-12-4-1-10(2-5-12)15-20-19-14-8-3-11(9-21(14)15)16(22)18-13-6-7-13/h1-5,8-9,13H,6-7H2,(H,18,22).
What are the key properties of 3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134788032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).