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

C13H16N2O3 — CID 106703128

IUPAC6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)(NC(=O)c1ccc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C13H16N2O3/c1-13(2,9-4-5-9)15-11(16)10-6-3-8(7-14-10)12(17)18/h3,6-7,9H,4-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKSSWVPWFPACJIY-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.70
Rot. Bonds4

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

6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 106703128) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID106703128
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)(NC(=O)c1ccc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C13H16N2O3/c1-13(2,9-4-5-9)15-11(16)10-6-3-8(7-14-10)12(17)18/h3,6-7,9H,4-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKSSWVPWFPACJIY-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.70
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
N-(2-cyclopropylpropan-2-yl)-6-(methylamino)pyridine-3-carboxamide
CID 114112366
2-cyclopropyl-2-[(5-fluoropyridine-2-carbonyl)amino]propanoic acid
CID 113435792
N-(2-cyclopropylpropan-2-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 114112374
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 63997179
6-acetylpyridine-3-carboxylic acid
CID 22323784
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330
6-[(6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63661979

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 106703128) is 6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid is CC(C)(NC(=O)c1ccc(C(=O)O)cn1)C1CC1.
What is the InChIKey of 6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is KSSWVPWFPACJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,9-4-5-9)15-11(16)10-6-3-8(7-14-10)12(17)18/h3,6-7,9H,4-5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
6-(2-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 248.28 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-cyclopropylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 106703128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).