3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid

C14H16N4O3 — CID 104739935

IUPAC3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H16N4O3/c1-8-10(9(2)18(3)17-8)7-12(19)16-11-5-4-6-15-13(11)14(20)21/h4-6H,7H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyRGIKWLAATPTDTL-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.31
Rot. Bonds4

About 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid

3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 104739935) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID104739935
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CC(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H16N4O3/c1-8-10(9(2)18(3)17-8)7-12(19)16-11-5-4-6-15-13(11)14(20)21/h4-6H,7H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyRGIKWLAATPTDTL-UHFFFAOYSA-N
XLogP1.31
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43171756
N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695411
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740367
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740437
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
N-(1H-indazol-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24669396
N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24665858
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855
2-[3-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenoxy]acetic acid
CID 119231451
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106037408

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid (CID 104739935) is 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid is Cc1nn(C)c(C)c1CC(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is RGIKWLAATPTDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8-10(9(2)18(3)17-8)7-12(19)16-11-5-4-6-15-13(11)14(20)21/h4-6H,7H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid?
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104739935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).