6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid

C15H20N2O3 — CID 119181274

IUPAC6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)C(C)N(C(=O)c1cccc(C(=O)O)n1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-9(2)10(3)17(11-7-8-11)14(18)12-5-4-6-13(16-12)15(19)20/h4-6,9-11H,7-8H2,1-3H3,(H,19,20)
InChIKeyLHICZIZCWSDERJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds5

About 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid

6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119181274) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119181274
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)C(C)N(C(=O)c1cccc(C(=O)O)n1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-9(2)10(3)17(11-7-8-11)14(18)12-5-4-6-13(16-12)15(19)20/h4-6,9-11H,7-8H2,1-3H3,(H,19,20)
InChIKeyLHICZIZCWSDERJ-UHFFFAOYSA-N
XLogP2.43
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid (CID 119181274) is 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid is CC(C)C(C)N(C(=O)c1cccc(C(=O)O)n1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LHICZIZCWSDERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)10(3)17(11-7-8-11)14(18)12-5-4-6-13(16-12)15(19)20/h4-6,9-11H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119181274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).