3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one

C25H22N4O3 — CID 59794055

IUPAC3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(C(=O)c3cccc4ccccc34)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C25H22N4O3/c1-28-23(30)15-21(18-9-11-26-12-10-18)27-25(28)29-13-14-32-22(16-29)24(31)20-8-4-6-17-5-2-3-7-19(17)20/h2-12,15,22H,13-14,16H2,1H3
InChIKeyGMKGBPNRJFDMBK-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.08
Rot. Bonds4

About 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59794055) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59794055
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(C(=O)c3cccc4ccccc34)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C25H22N4O3/c1-28-23(30)15-21(18-9-11-26-12-10-18)27-25(28)29-13-14-32-22(16-29)24(31)20-8-4-6-17-5-2-3-7-19(17)20/h2-12,15,22H,13-14,16H2,1H3
InChIKeyGMKGBPNRJFDMBK-UHFFFAOYSA-N
XLogP3.08
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-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 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one (CID 59794055) is 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCOC(C(=O)c3cccc4ccccc34)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is GMKGBPNRJFDMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-28-23(30)15-21(18-9-11-26-12-10-18)27-25(28)29-13-14-32-22(16-29)24(31)20-8-4-6-17-5-2-3-7-19(17)20/h2-12,15,22H,13-14,16H2,1H3.
What are the key properties of 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 426.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59794055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).