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

C13H14N4O3 — CID 107464399

IUPAC6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCc1nn(C)cc1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H14N4O3/c1-3-8-11(7-17(2)16-8)15-12(18)9-5-4-6-10(14-9)13(19)20/h4-7H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyPNRCEMGQTPHYRB-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.33
Rot. Bonds4

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

6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 107464399) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID107464399
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCc1nn(C)cc1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H14N4O3/c1-3-8-11(7-17(2)16-8)15-12(18)9-5-4-6-10(14-9)13(19)20/h4-7H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyPNRCEMGQTPHYRB-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
2-amino-6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461888
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrazine-2-carboxamide
CID 138992151
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid (CID 107464399) is 6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid is CCc1nn(C)cc1NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is PNRCEMGQTPHYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-3-8-11(7-17(2)16-8)15-12(18)9-5-4-6-10(14-9)13(19)20/h4-7H,3H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid?
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107464399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).