5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid

C13H14N4O3 — CID 102810182

IUPAC5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H14N4O3/c1-3-11-10(7-17(2)16-11)12(18)15-9-4-8(13(19)20)5-14-6-9/h4-7H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyRXKIZOCANDTLNX-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.33
Rot. Bonds4

About 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid

5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 102810182) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID102810182
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H14N4O3/c1-3-11-10(7-17(2)16-11)12(18)15-9-4-8(13(19)20)5-14-6-9/h4-7H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyRXKIZOCANDTLNX-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

3-chloro-5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]benzoic acid
CID 102810278
5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153723
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
CID 102810114
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 102810213
5-[(2,5-dimethylpyrazole-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 66127114
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 102810141
5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 79802054
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 102810895
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 156760584
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102810224

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid (CID 102810182) is 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid is CCc1nn(C)cc1C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is RXKIZOCANDTLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-3-11-10(7-17(2)16-11)12(18)15-9-4-8(13(19)20)5-14-6-9/h4-7H,3H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-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 5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 102810182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).