6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

C14H20N2O4 — CID 79385788

IUPAC6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H20N2O4/c1-5-16(8-14(3,4)20)12(17)11-7-6-10(13(18)19)9(2)15-11/h6-7,20H,5,8H2,1-4H3,(H,18,19)
InChIKeyCQDDXMPPTKMRAB-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.32
Rot. Bonds5

About 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 79385788) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID79385788
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C14H20N2O4/c1-5-16(8-14(3,4)20)12(17)11-7-6-10(13(18)19)9(2)15-11/h6-7,20H,5,8H2,1-4H3,(H,18,19)
InChIKeyCQDDXMPPTKMRAB-UHFFFAOYSA-N
XLogP1.32
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 79385788) is 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is CCN(CC(C)(C)O)C(=O)c1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is CQDDXMPPTKMRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-16(8-14(3,4)20)12(17)11-7-6-10(13(18)19)9(2)15-11/h6-7,20H,5,8H2,1-4H3,(H,18,19).
What are the key properties of 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 79385788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).