7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C22H18N4 — CID 66808472

IUPAC7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc2c(Nc3cccc(C=Cc4ccccc4)c3)ncnc2n1
InChIInChI=1S/C22H18N4/c1-16-10-13-20-21(25-16)23-15-24-22(20)26-19-9-5-8-18(14-19)12-11-17-6-3-2-4-7-17/h2-15H,1H3,(H,23,24,25,26)
InChIKeyBLWIJQSORKAQDG-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.25
Rot. Bonds4

About 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 66808472) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID66808472
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc2c(Nc3cccc(C=Cc4ccccc4)c3)ncnc2n1
InChIInChI=1S/C22H18N4/c1-16-10-13-20-21(25-16)23-15-24-22(20)26-19-9-5-8-18(14-19)12-11-17-6-3-2-4-7-17/h2-15H,1H3,(H,23,24,25,26)
InChIKeyBLWIJQSORKAQDG-UHFFFAOYSA-N
XLogP5.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine 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 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 66808472) is 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1ccc2c(Nc3cccc(C=Cc4ccccc4)c3)ncnc2n1.
What is the InChIKey of 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is BLWIJQSORKAQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-16-10-13-20-21(25-16)23-15-24-22(20)26-19-9-5-8-18(14-19)12-11-17-6-3-2-4-7-17/h2-15H,1H3,(H,23,24,25,26).
What are the key properties of 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 338.41 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-(2-phenylethenyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66808472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).