3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

C13H14N4O3 — CID 104740437

IUPAC3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCc1cc(C)n(CC(=O)Nc2cccnc2C(=O)O)n1
InChIInChI=1S/C13H14N4O3/c1-8-6-9(2)17(16-8)7-11(18)15-10-4-3-5-14-12(10)13(19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyHIOUUWZWFPNSLT-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.23
Rot. Bonds4

About 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid

3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 104740437) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID104740437
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCc1cc(C)n(CC(=O)Nc2cccnc2C(=O)O)n1
InChIInChI=1S/C13H14N4O3/c1-8-6-9(2)17(16-8)7-11(18)15-10-4-3-5-14-12(10)13(19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyHIOUUWZWFPNSLT-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
CID 60827241
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740367
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzenesulfonyl fluoride
CID 116814136
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 103891137
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739935
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60802220
3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740211
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 104740437) is 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is Cc1cc(C)n(CC(=O)Nc2cccnc2C(=O)O)n1.
What is the InChIKey of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is HIOUUWZWFPNSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-6-9(2)17(16-8)7-11(18)15-10-4-3-5-14-12(10)13(19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid?
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).