2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid

C17H19N5O3 — CID 57448711

IUPAC2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid
SMILESCCNc1nc(C)c2cc(-c3cccn3C(=O)O)c(=O)n(CC)c2n1
InChIInChI=1S/C17H19N5O3/c1-4-18-16-19-10(3)11-9-12(13-7-6-8-22(13)17(24)25)15(23)21(5-2)14(11)20-16/h6-9H,4-5H2,1-3H3,(H,24,25)(H,18,19,20)
InChIKeyODAAVXZXLRIZCP-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.55
Rot. Bonds4

About 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid

2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid (PubChem CID 57448711) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid.

Molecular Properties

Compound Name2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid
PubChem CID57448711
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid
SMILESCCNc1nc(C)c2cc(-c3cccn3C(=O)O)c(=O)n(CC)c2n1
InChIInChI=1S/C17H19N5O3/c1-4-18-16-19-10(3)11-9-12(13-7-6-8-22(13)17(24)25)15(23)21(5-2)14(11)20-16/h6-9H,4-5H2,1-3H3,(H,24,25)(H,18,19,20)
InChIKeyODAAVXZXLRIZCP-UHFFFAOYSA-N
XLogP2.55
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-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 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid?
The IUPAC name of 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid (CID 57448711) is 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid.
What is the SMILES notation for 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid?
The canonical SMILES for 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid is CCNc1nc(C)c2cc(-c3cccn3C(=O)O)c(=O)n(CC)c2n1.
What is the InChIKey of 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid?
The InChIKey is ODAAVXZXLRIZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-4-18-16-19-10(3)11-9-12(13-7-6-8-22(13)17(24)25)15(23)21(5-2)14(11)20-16/h6-9H,4-5H2,1-3H3,(H,24,25)(H,18,19,20).
What are the key properties of 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid?
2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid is sourced from PubChem (CID 57448711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).