3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid

C13H14N4O3 — CID 102810213

IUPAC3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)Nc1cnccc1C(=O)O
InChIInChI=1S/C13H14N4O3/c1-3-10-9(7-17(2)16-10)12(18)15-11-6-14-5-4-8(11)13(19)20/h4-7H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyMAZADLBDCWZBRA-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.33
Rot. Bonds4

About 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid

3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid (PubChem CID 102810213) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid
PubChem CID102810213
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)Nc1cnccc1C(=O)O
InChIInChI=1S/C13H14N4O3/c1-3-10-9(7-17(2)16-10)12(18)15-11-6-14-5-4-8(11)13(19)20/h4-7H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyMAZADLBDCWZBRA-UHFFFAOYSA-N
XLogP1.33
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
CID 102810114
3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
CID 118970057
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 102810182
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072426
N-(2-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810468
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399
3-amino-N-(1,3-dimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 102807250
N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107798325

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid (CID 102810213) is 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid is CCc1nn(C)cc1C(=O)Nc1cnccc1C(=O)O.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid?
The InChIKey is MAZADLBDCWZBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-3-10-9(7-17(2)16-10)12(18)15-11-6-14-5-4-8(11)13(19)20/h4-7H,3H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid?
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 102810213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).