2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

C12H13N5O3 — CID 64523559

IUPAC2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCCc2ncn[nH]2)ccc1C(=O)O
InChIInChI=1S/C12H13N5O3/c1-7-8(12(19)20)2-3-9(16-7)11(18)13-5-4-10-14-6-15-17-10/h2-3,6H,4-5H2,1H3,(H,13,18)(H,19,20)(H,14,15,17)
InChIKeyODJVEMWIXIFGHP-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.18
Rot. Bonds5

About 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 64523559) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID64523559
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCCc2ncn[nH]2)ccc1C(=O)O
InChIInChI=1S/C12H13N5O3/c1-7-8(12(19)20)2-3-9(16-7)11(18)13-5-4-10-14-6-15-17-10/h2-3,6H,4-5H2,1H3,(H,13,18)(H,19,20)(H,14,15,17)
InChIKeyODJVEMWIXIFGHP-UHFFFAOYSA-N
XLogP0.18
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
CID 64523985
5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 104641538
2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106422051
2-chloro-6-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 114219584
6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61471529
2-methyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 64523913
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63331339
2-methyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 64523520
4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 64532387
6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
CID 64523165
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 64523559) is 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is Cc1nc(C(=O)NCCc2ncn[nH]2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is ODJVEMWIXIFGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-7-8(12(19)20)2-3-9(16-7)11(18)13-5-4-10-14-6-15-17-10/h2-3,6H,4-5H2,1H3,(H,13,18)(H,19,20)(H,14,15,17).
What are the key properties of 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 64523559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).