6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

C13H14N4O3 — CID 112731793

IUPAC6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCn1cc(CCNC(=O)c2ccc(C(=O)O)cn2)cn1
InChIInChI=1S/C13H14N4O3/c1-17-8-9(6-16-17)4-5-14-12(18)11-3-2-10(7-15-11)13(19)20/h2-3,6-8H,4-5H2,1H3,(H,14,18)(H,19,20)
InChIKeyBQJNDGAJLCUDIW-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.49
Rot. Bonds5

About 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 112731793) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID112731793
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCn1cc(CCNC(=O)c2ccc(C(=O)O)cn2)cn1
InChIInChI=1S/C13H14N4O3/c1-17-8-9(6-16-17)4-5-14-12(18)11-3-2-10(7-15-11)13(19)20/h2-3,6-8H,4-5H2,1H3,(H,14,18)(H,19,20)
InChIKeyBQJNDGAJLCUDIW-UHFFFAOYSA-N
XLogP0.49
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 113436378
6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 80688805
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072
5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 80686009
6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106551138
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
N-[2-(1-methylpyrazol-4-yl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376316
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429
6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119184013

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 112731793) is 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is Cn1cc(CCNC(=O)c2ccc(C(=O)O)cn2)cn1.
What is the InChIKey of 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is BQJNDGAJLCUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17-8-9(6-16-17)4-5-14-12(18)11-3-2-10(7-15-11)13(19)20/h2-3,6-8H,4-5H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 112731793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).