2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid

C13H18N2O4 — CID 122055666

IUPAC2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCCCC(C)(O)CNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H18N2O4/c1-3-5-13(2,19)8-15-11(16)10-7-9(12(17)18)4-6-14-10/h4,6-7,19H,3,5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRJCSSWRCXOVGNM-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.06
Rot. Bonds6

About 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid

2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055666) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055666
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
SMILESCCCC(C)(O)CNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H18N2O4/c1-3-5-13(2,19)8-15-11(16)10-7-9(12(17)18)4-6-14-10/h4,6-7,19H,3,5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRJCSSWRCXOVGNM-UHFFFAOYSA-N
XLogP1.06
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055460
2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055349
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367
5-(furan-2-yl)-N-(2-hydroxy-2-methylpentyl)-1,2-oxazole-3-carboxamide
CID 103712832
3-hydroxy-N-(2-hydroxy-2-methylpentyl)pyridine-2-carboxamide
CID 103725204
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
2-(3-ethylsulfanylpropylcarbamoyl)pyridine-4-carboxylic acid
CID 122056379
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
CID 106290832
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106753404

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid (CID 122055666) is 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid is CCCC(C)(O)CNC(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is RJCSSWRCXOVGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-5-13(2,19)8-15-11(16)10-7-9(12(17)18)4-6-14-10/h4,6-7,19H,3,5,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid?
2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).