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

C14H13N5O — CID 84614417

IUPACN-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1nnc2c(C(=O)Nc3cccc(N)c3)cccn12
InChIInChI=1S/C14H13N5O/c1-9-17-18-13-12(6-3-7-19(9)13)14(20)16-11-5-2-4-10(15)8-11/h2-8H,15H2,1H3,(H,16,20)
InChIKeyVXNVTQNPBHWQDD-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.87
Rot. Bonds2

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

N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 84614417) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID84614417
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1nnc2c(C(=O)Nc3cccc(N)c3)cccn12
InChIInChI=1S/C14H13N5O/c1-9-17-18-13-12(6-3-7-19(9)13)14(20)16-11-5-2-4-10(15)8-11/h2-8H,15H2,1H3,(H,16,20)
InChIKeyVXNVTQNPBHWQDD-UHFFFAOYSA-N
XLogP1.87
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
N-[3-[carbamoyl(methyl)amino]phenyl]-3-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 166376246
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
N-(3-aminophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55223212
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764731
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
N-(3-aminophenyl)pyrimidine-5-carboxamide
CID 102921225
N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 22587537

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 84614417) is N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1nnc2c(C(=O)Nc3cccc(N)c3)cccn12.
What is the InChIKey of N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is VXNVTQNPBHWQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-17-18-13-12(6-3-7-19(9)13)14(20)16-11-5-2-4-10(15)8-11/h2-8H,15H2,1H3,(H,16,20).
What are the key properties of N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 84614417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).