1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid

C14H15N3O3 — CID 170505245

IUPAC1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2ccc(N(C)C)nc2)c(=O)c1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-9-6-7-17(13(18)12(9)14(19)20)10-4-5-11(15-8-10)16(2)3/h4-8H,1-3H3,(H,19,20)
InChIKeyVCFUCDRWEDYJOM-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.31
Rot. Bonds3

About 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid

1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 170505245) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID170505245
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2ccc(N(C)C)nc2)c(=O)c1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-9-6-7-17(13(18)12(9)14(19)20)10-4-5-11(15-8-10)16(2)3/h4-8H,1-3H3,(H,19,20)
InChIKeyVCFUCDRWEDYJOM-UHFFFAOYSA-N
XLogP1.31
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid (CID 170505245) is 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccn(-c2ccc(N(C)C)nc2)c(=O)c1C(=O)O.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is VCFUCDRWEDYJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-6-7-17(13(18)12(9)14(19)20)10-4-5-11(15-8-10)16(2)3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid?
1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]-4-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170505245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).