2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid

C13H18N2O4 — CID 114155377

IUPAC2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(O)C(C)(C)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-12(2,13(3,4)19)15-10(16)9-8(11(17)18)6-5-7-14-9/h5-7,19H,1-4H3,(H,15,16)(H,17,18)
InChIKeyTZQICVZVVCMXBR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.06
Rot. Bonds4

About 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid

2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 114155377) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID114155377
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)(O)C(C)(C)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-12(2,13(3,4)19)15-10(16)9-8(11(17)18)6-5-7-14-9/h5-7,19H,1-4H3,(H,15,16)(H,17,18)
InChIKeyTZQICVZVVCMXBR-UHFFFAOYSA-N
XLogP1.06
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232
2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid
CID 82720780
pyridine-2,3-dicarboxylic acid
CID 1066
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-[(4-carboxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 21231390
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid (CID 114155377) is 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid is CC(C)(O)C(C)(C)NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is TZQICVZVVCMXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-12(2,13(3,4)19)15-10(16)9-8(11(17)18)6-5-7-14-9/h5-7,19H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid?
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114155377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).