6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid

C15H20N2O3 — CID 63996569

IUPAC6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C15H20N2O3/c1-3-11(8-10-4-5-10)17-14(18)13-7-6-12(15(19)20)9(2)16-13/h6-7,10-11H,3-5,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPBXQXLBPPPBGNY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds6

About 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid

6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid (PubChem CID 63996569) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid
PubChem CID63996569
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C15H20N2O3/c1-3-11(8-10-4-5-10)17-14(18)13-7-6-12(15(19)20)9(2)16-13/h6-7,10-11H,3-5,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPBXQXLBPPPBGNY-UHFFFAOYSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid (CID 63996569) is 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid is CCC(CC1CC1)NC(=O)c1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid?
The InChIKey is PBXQXLBPPPBGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-11(8-10-4-5-10)17-14(18)13-7-6-12(15(19)20)9(2)16-13/h6-7,10-11H,3-5,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid?
6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 63996569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).