1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one

C20H19N5O — CID 67862535

IUPAC1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC(c1ccccn1)N1Cc2cccnc2N(c2cccc(N)c2)C1=O
InChIInChI=1S/C20H19N5O/c1-14(18-9-2-3-10-22-18)24-13-15-6-5-11-23-19(15)25(20(24)26)17-8-4-7-16(21)12-17/h2-12,14H,13,21H2,1H3
InChIKeyZGNULISUYNZULC-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.89
Rot. Bonds3

About 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one

1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 67862535) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID67862535
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCC(c1ccccn1)N1Cc2cccnc2N(c2cccc(N)c2)C1=O
InChIInChI=1S/C20H19N5O/c1-14(18-9-2-3-10-22-18)24-13-15-6-5-11-23-19(15)25(20(24)26)17-8-4-7-16(21)12-17/h2-12,14H,13,21H2,1H3
InChIKeyZGNULISUYNZULC-UHFFFAOYSA-N
XLogP3.89
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-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 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 67862535) is 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one is CC(c1ccccn1)N1Cc2cccnc2N(c2cccc(N)c2)C1=O.
What is the InChIKey of 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is ZGNULISUYNZULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14(18-9-2-3-10-22-18)24-13-15-6-5-11-23-19(15)25(20(24)26)17-8-4-7-16(21)12-17/h2-12,14H,13,21H2,1H3.
What are the key properties of 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 345.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(1-pyridin-2-ylethyl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 67862535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).