5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid

C13H14N4O3 — CID 81099051

IUPAC5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H14N4O3/c1-7-11(8(2)17-16-7)12(18)15-6-9-3-4-10(13(19)20)14-5-9/h3-5H,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyOPMDUWFFSNBKKK-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.05
Rot. Bonds4

About 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81099051) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID81099051
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1C(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H14N4O3/c1-7-11(8(2)17-16-7)12(18)15-6-9-3-4-10(13(19)20)14-5-9/h3-5H,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyOPMDUWFFSNBKKK-UHFFFAOYSA-N
XLogP1.05
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 43582486
3,5-dimethyl-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 54944517
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583060
5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107013740
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099689
5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid (CID 81099051) is 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid is Cc1n[nH]c(C)c1C(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is OPMDUWFFSNBKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-7-11(8(2)17-16-7)12(18)15-6-9-3-4-10(13(19)20)14-5-9/h3-5H,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81099051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).