4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid

C13H18N2O3 — CID 113263127

IUPAC4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1ccnc(C(=O)O)c1)C(C)C
InChIInChI=1S/C13H18N2O3/c1-4-10(8(2)3)15-12(16)9-5-6-14-11(7-9)13(17)18/h5-8,10H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOWQQAYYLSNGBFC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.94
Rot. Bonds5

About 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid

4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113263127) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113263127
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCC(NC(=O)c1ccnc(C(=O)O)c1)C(C)C
InChIInChI=1S/C13H18N2O3/c1-4-10(8(2)3)15-12(16)9-5-6-14-11(7-9)13(17)18/h5-8,10H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOWQQAYYLSNGBFC-UHFFFAOYSA-N
XLogP1.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730415
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113385031
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389570
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
4-[1-(4-butoxy-3-methoxyphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119181722
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119182132
4-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
CID 129467448

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid (CID 113263127) is 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid is CCC(NC(=O)c1ccnc(C(=O)O)c1)C(C)C.
What is the InChIKey of 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is OWQQAYYLSNGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-10(8(2)3)15-12(16)9-5-6-14-11(7-9)13(17)18/h5-8,10H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid?
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113263127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).