8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

C17H16N4O3 — CID 21497087

IUPAC8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1cc(-c2ncc3c(=O)c(C(=O)O)cn(CC)c3n2)ccn1
InChIInChI=1S/C17H16N4O3/c1-3-11-7-10(5-6-18-11)15-19-8-12-14(22)13(17(23)24)9-21(4-2)16(12)20-15/h5-9H,3-4H2,1-2H3,(H,23,24)
InChIKeyVODBNUMUZBLFFA-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.13
Rot. Bonds4

About 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 21497087) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID21497087
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1cc(-c2ncc3c(=O)c(C(=O)O)cn(CC)c3n2)ccn1
InChIInChI=1S/C17H16N4O3/c1-3-11-7-10(5-6-18-11)15-19-8-12-14(22)13(17(23)24)9-21(4-2)16(12)20-15/h5-9H,3-4H2,1-2H3,(H,23,24)
InChIKeyVODBNUMUZBLFFA-UHFFFAOYSA-N
XLogP2.13
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-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 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 21497087) is 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid is CCc1cc(-c2ncc3c(=O)c(C(=O)O)cn(CC)c3n2)ccn1.
What is the InChIKey of 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is VODBNUMUZBLFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-3-11-7-10(5-6-18-11)15-19-8-12-14(22)13(17(23)24)9-21(4-2)16(12)20-15/h5-9H,3-4H2,1-2H3,(H,23,24).
What are the key properties of 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid?
8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(2-ethyl-4-pyridinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 21497087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).