2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

C13H15N5O3 — CID 63331339

IUPAC2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCCc2nncn2C)ccc1C(=O)O
InChIInChI=1S/C13H15N5O3/c1-8-9(13(20)21)3-4-10(16-8)12(19)14-6-5-11-17-15-7-18(11)2/h3-4,7H,5-6H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyGEDBJNBLQNCENW-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.19
Rot. Bonds5

About 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63331339) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63331339
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCCc2nncn2C)ccc1C(=O)O
InChIInChI=1S/C13H15N5O3/c1-8-9(13(20)21)3-4-10(16-8)12(19)14-6-5-11-17-15-7-18(11)2/h3-4,7H,5-6H2,1-2H3,(H,14,19)(H,20,21)
InChIKeyGEDBJNBLQNCENW-UHFFFAOYSA-N
XLogP0.19
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 63331339) is 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is Cc1nc(C(=O)NCCc2nncn2C)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is GEDBJNBLQNCENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-9(13(20)21)3-4-10(16-8)12(19)14-6-5-11-17-15-7-18(11)2/h3-4,7H,5-6H2,1-2H3,(H,14,19)(H,20,21).
What are the key properties of 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 289.30 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63331339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).