3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one

C16H15N3O2 — CID 86151328

IUPAC3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCCOc1cccc(-n2c(C)nc3ncccc3c2=O)c1
InChIInChI=1S/C16H15N3O2/c1-3-21-13-7-4-6-12(10-13)19-11(2)18-15-14(16(19)20)8-5-9-17-15/h4-10H,3H2,1-2H3
InChIKeyJDPOUJIRMPWGKF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds3

About 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one

3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 86151328) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
PubChem CID86151328
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
SMILESCCOc1cccc(-n2c(C)nc3ncccc3c2=O)c1
InChIInChI=1S/C16H15N3O2/c1-3-21-13-7-4-6-12(10-13)19-11(2)18-15-14(16(19)20)8-5-9-17-15/h4-10H,3H2,1-2H3
InChIKeyJDPOUJIRMPWGKF-UHFFFAOYSA-N
XLogP2.49
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607118
N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606946
3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606941
2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607382
3-methoxy-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606787
3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606492
2-methyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606966
3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607046
2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606668
3-bromo-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 27543900
1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 3253093
3,5-dimethyl-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606887

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one (CID 86151328) is 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one is CCOc1cccc(-n2c(C)nc3ncccc3c2=O)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JDPOUJIRMPWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-21-13-7-4-6-12(10-13)19-11(2)18-15-14(16(19)20)8-5-9-17-15/h4-10H,3H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one?
3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 281.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 86151328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).