3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C18H18N4O2 — CID 86764840

IUPAC3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccccc1NC(=O)c1cccn2c(C3CCC3)nnc12
InChIInChI=1S/C18H18N4O2/c1-24-15-10-3-2-9-14(15)19-18(23)13-8-5-11-22-16(12-6-4-7-12)20-21-17(13)22/h2-3,5,8-12H,4,6-7H2,1H3,(H,19,23)
InChIKeySKLOAXJKRROYMU-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.26
Rot. Bonds4

About 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 86764840) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID86764840
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccccc1NC(=O)c1cccn2c(C3CCC3)nnc12
InChIInChI=1S/C18H18N4O2/c1-24-15-10-3-2-9-14(15)19-18(23)13-8-5-11-22-16(12-6-4-7-12)20-21-17(13)22/h2-3,5,8-12H,4,6-7H2,1H3,(H,19,23)
InChIKeySKLOAXJKRROYMU-UHFFFAOYSA-N
XLogP3.26
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)pyridine-2-carboxamide
CID 53166367
2-methoxy-N-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide
CID 86763860
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-3-carboxamide
CID 53166357
methyl 3-(1,1-dioxothian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147483
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
(5S)-N-(2-methoxyphenyl)-5-methyl-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-8-carboxamide
CID 171625575
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982063
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 22145771

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 86764840) is 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is COc1ccccc1NC(=O)c1cccn2c(C3CCC3)nnc12.
What is the InChIKey of 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is SKLOAXJKRROYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-15-10-3-2-9-14(15)19-18(23)13-8-5-11-22-16(12-6-4-7-12)20-21-17(13)22/h2-3,5,8-12H,4,6-7H2,1H3,(H,19,23).
What are the key properties of 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 86764840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).