6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid

C11H10N4O3 — CID 43429931

IUPAC6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCn1cc(NC(=O)c2ccc(C(=O)O)cn2)cn1
InChIInChI=1S/C11H10N4O3/c1-15-6-8(5-13-15)14-10(16)9-3-2-7(4-12-9)11(17)18/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyXKLSNNJETVIUMB-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.77
Rot. Bonds3

About 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid

6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 43429931) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID43429931
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCn1cc(NC(=O)c2ccc(C(=O)O)cn2)cn1
InChIInChI=1S/C11H10N4O3/c1-15-6-8(5-13-15)14-10(16)9-3-2-7(4-12-9)11(17)18/h2-6H,1H3,(H,14,16)(H,17,18)
InChIKeyXKLSNNJETVIUMB-UHFFFAOYSA-N
XLogP0.77
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255
N-(1-methylpyrazol-4-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104640241
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 115116603
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
5-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 62241771
N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 118471591
2-[(1-methylpyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696698
N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
CID 32604546
3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
CID 103734986

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid (CID 43429931) is 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid is Cn1cc(NC(=O)c2ccc(C(=O)O)cn2)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is XKLSNNJETVIUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-15-6-8(5-13-15)14-10(16)9-3-2-7(4-12-9)11(17)18/h2-6H,1H3,(H,14,16)(H,17,18).
What are the key properties of 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid?
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 43429931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).