2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid

C13H14N4O3 — CID 66120323

IUPAC2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)Nc2ncccc2C(=O)O)n(C)n1
InChIInChI=1S/C13H14N4O3/c1-3-8-7-10(17(2)16-8)12(18)15-11-9(13(19)20)5-4-6-14-11/h4-7H,3H2,1-2H3,(H,19,20)(H,14,15,18)
InChIKeyHUNDJTUYSQATRV-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.33
Rot. Bonds4

About 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid

2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 66120323) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID66120323
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)Nc2ncccc2C(=O)O)n(C)n1
InChIInChI=1S/C13H14N4O3/c1-3-8-7-10(17(2)16-8)12(18)15-11-9(13(19)20)5-4-6-14-11/h4-7H,3H2,1-2H3,(H,19,20)(H,14,15,18)
InChIKeyHUNDJTUYSQATRV-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-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 107046375
5-amino-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121300
N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121397
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
2-[(1,3-diethylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121377
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103943483
3-ethyl-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 66122312
2-[(2,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 71016995
3-ethyl-N-(2-ethylsulfanylphenyl)-1-methylpyrazole-5-carboxamide
CID 131920585

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid (CID 66120323) is 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid is CCc1cc(C(=O)Nc2ncccc2C(=O)O)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is HUNDJTUYSQATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-3-8-7-10(17(2)16-8)12(18)15-11-9(13(19)20)5-4-6-14-11/h4-7H,3H2,1-2H3,(H,19,20)(H,14,15,18).
What are the key properties of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid?
2-[(3-ethyl-1-methylpyrazole-5-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 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 66120323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).