8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

C22H22N4O3 — CID 137223347

IUPAC8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(CCC(=O)N2CCCc3c2nc(-c2ccccn2)[nH]c3=O)cc1
InChIInChI=1S/C22H22N4O3/c1-29-16-10-7-15(8-11-16)9-12-19(27)26-14-4-5-17-21(26)24-20(25-22(17)28)18-6-2-3-13-23-18/h2-3,6-8,10-11,13H,4-5,9,12,14H2,1H3,(H,24,25,28)
InChIKeyPOZNLWHTMNCZBM-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.75
Rot. Bonds5

About 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 137223347) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID137223347
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(CCC(=O)N2CCCc3c2nc(-c2ccccn2)[nH]c3=O)cc1
InChIInChI=1S/C22H22N4O3/c1-29-16-10-7-15(8-11-16)9-12-19(27)26-14-4-5-17-21(26)24-20(25-22(17)28)18-6-2-3-13-23-18/h2-3,6-8,10-11,13H,4-5,9,12,14H2,1H3,(H,24,25,28)
InChIKeyPOZNLWHTMNCZBM-UHFFFAOYSA-N
XLogP2.75
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-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 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 137223347) is 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is COc1ccc(CCC(=O)N2CCCc3c2nc(-c2ccccn2)[nH]c3=O)cc1.
What is the InChIKey of 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is POZNLWHTMNCZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-16-10-7-15(8-11-16)9-12-19(27)26-14-4-5-17-21(26)24-20(25-22(17)28)18-6-2-3-13-23-18/h2-3,6-8,10-11,13H,4-5,9,12,14H2,1H3,(H,24,25,28).
What are the key properties of 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 390.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-methoxyphenyl)propanoyl]-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137223347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).