4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid

C14H20N2O4 — CID 129054267

IUPAC4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCCCN(CCC)C(=O)c1cc(C(=O)O)n(C)c(=O)c1
InChIInChI=1S/C14H20N2O4/c1-4-6-16(7-5-2)13(18)10-8-11(14(19)20)15(3)12(17)9-10/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKeyPGYBNXAJWXQASV-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.35
Rot. Bonds6

About 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid

4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid (PubChem CID 129054267) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid
PubChem CID129054267
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCCCN(CCC)C(=O)c1cc(C(=O)O)n(C)c(=O)c1
InChIInChI=1S/C14H20N2O4/c1-4-6-16(7-5-2)13(18)10-8-11(14(19)20)15(3)12(17)9-10/h8-9H,4-7H2,1-3H3,(H,19,20)
InChIKeyPGYBNXAJWXQASV-UHFFFAOYSA-N
XLogP1.35
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid (CID 129054267) is 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid is CCCN(CCC)C(=O)c1cc(C(=O)O)n(C)c(=O)c1.
What is the InChIKey of 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is PGYBNXAJWXQASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-6-16(7-5-2)13(18)10-8-11(14(19)20)15(3)12(17)9-10/h8-9H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid?
4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylcarbamoyl)-1-methyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 129054267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).