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

C13H14N4O3 — CID 106104145

IUPAC2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCn1ccc(CCNC(=O)c2ncccc2C(=O)O)n1
InChIInChI=1S/C13H14N4O3/c1-17-8-5-9(16-17)4-7-15-12(18)11-10(13(19)20)3-2-6-14-11/h2-3,5-6,8H,4,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyMTYKXCPSUZWWKY-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.49
Rot. Bonds5

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

2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 106104145) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID106104145
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCn1ccc(CCNC(=O)c2ncccc2C(=O)O)n1
InChIInChI=1S/C13H14N4O3/c1-17-8-5-9(16-17)4-7-15-12(18)11-10(13(19)20)3-2-6-14-11/h2-3,5-6,8H,4,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyMTYKXCPSUZWWKY-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

3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
5-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106106166
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]benzoic acid
CID 114144038
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533
(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
CID 106105015
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103852
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 106104145) is 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is Cn1ccc(CCNC(=O)c2ncccc2C(=O)O)n1.
What is the InChIKey of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is MTYKXCPSUZWWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17-8-5-9(16-17)4-7-15-12(18)11-10(13(19)20)3-2-6-14-11/h2-3,5-6,8H,4,7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
2-[2-(1-methylpyrazol-3-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 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106104145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).