5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid

C13H18N2O3 — CID 113231389

IUPAC5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCCC(C)(C)NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N2O3/c1-4-7-13(2,3)15-11(16)9-5-6-10(12(17)18)14-8-9/h5-6,8H,4,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGYHUNVPCRYZGAO-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.09
Rot. Bonds5

About 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid

5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113231389) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113231389
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCCC(C)(C)NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H18N2O3/c1-4-7-13(2,3)15-11(16)9-5-6-10(12(17)18)14-8-9/h5-6,8H,4,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGYHUNVPCRYZGAO-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 61380872
pyridine-2,5-dicarboxylic acid
CID 158970171
5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107372186
5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689751
6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 115968711
5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid
CID 107372559
4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
CID 119357395
N-tert-butyl-2-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
CID 146603416
3-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670517
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
N-(2-methylpentan-2-yl)-4-(methylsulfamoyl)benzamide
CID 49416341

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid (CID 113231389) is 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid is CCCC(C)(C)NC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is GYHUNVPCRYZGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-7-13(2,3)15-11(16)9-5-6-10(12(17)18)14-8-9/h5-6,8H,4,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113231389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).