6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid

C12H16N2O3 — CID 43427297

IUPAC6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCC(C)(C)NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-4-12(2,3)14-10(15)9-6-5-8(7-13-9)11(16)17/h5-7H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKCKVZLCJHKFWSC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.70
Rot. Bonds4

About 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid

6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 43427297) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID43427297
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCC(C)(C)NC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H16N2O3/c1-4-12(2,3)14-10(15)9-6-5-8(7-13-9)11(16)17/h5-7H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyKCKVZLCJHKFWSC-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 81319675
5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113231389
6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106703128
5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106329081
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330
3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 64671499
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
6-[(2-ethylphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 64695374
6-acetylpyridine-3-carboxylic acid
CID 22323784

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 43427297) is 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid is CCC(C)(C)NC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is KCKVZLCJHKFWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-12(2,3)14-10(15)9-6-5-8(7-13-9)11(16)17/h5-7H,4H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43427297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).