2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one

C21H18N4O — CID 5328647

IUPAC2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C21H18N4O/c1-2-25-19-16(13-18(20(25)26)15-9-5-3-6-10-15)14-22-21(24-19)23-17-11-7-4-8-12-17/h3-14H,2H2,1H3,(H,22,23,24)
InChIKeyHSEYKDNBMMUBTH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.22
Rot. Bonds4

About 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328647) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328647
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C21H18N4O/c1-2-25-19-16(13-18(20(25)26)15-9-5-3-6-10-15)14-22-21(24-19)23-17-11-7-4-8-12-17/h3-14H,2H2,1H3,(H,22,23,24)
InChIKeyHSEYKDNBMMUBTH-UHFFFAOYSA-N
XLogP4.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one 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-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one (CID 5328647) is 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HSEYKDNBMMUBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-25-19-16(13-18(20(25)26)15-9-5-3-6-10-15)14-22-21(24-19)23-17-11-7-4-8-12-17/h3-14H,2H2,1H3,(H,22,23,24).
What are the key properties of 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 342.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-ethyl-6-phenylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).