2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid

C11H16N2O3 — CID 67247341

IUPAC2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid
SMILESCCCc1c(NC)c(C(=O)O)c(C)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-4-5-7-9(12-3)8(11(15)16)6(2)13-10(7)14/h4-5H2,1-3H3,(H,15,16)(H2,12,13,14)
InChIKeyCCHQBDGEUGQBJN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.38
Rot. Bonds4

About 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid

2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid (PubChem CID 67247341) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid
PubChem CID67247341
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid
SMILESCCCc1c(NC)c(C(=O)O)c(C)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-4-5-7-9(12-3)8(11(15)16)6(2)13-10(7)14/h4-5H2,1-3H3,(H,15,16)(H2,12,13,14)
InChIKeyCCHQBDGEUGQBJN-UHFFFAOYSA-N
XLogP1.38
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid (CID 67247341) is 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid is CCCc1c(NC)c(C(=O)O)c(C)[nH]c1=O.
What is the InChIKey of 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid?
The InChIKey is CCHQBDGEUGQBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-5-7-9(12-3)8(11(15)16)6(2)13-10(7)14/h4-5H2,1-3H3,(H,15,16)(H2,12,13,14).
What are the key properties of 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid?
2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)-6-oxo-5-propyl-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 67247341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).