3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide

C22H18N4O3 — CID 8606492

IUPAC3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)c1
InChIInChI=1S/C22H18N4O3/c1-14-24-20-19(7-4-12-23-20)22(28)26(14)17-10-8-16(9-11-17)25-21(27)15-5-3-6-18(13-15)29-2/h3-13H,1-2H3,(H,25,27)
InChIKeyXSKWIHISGSOVCU-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.35
Rot. Bonds4

About 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide

3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide (PubChem CID 8606492) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
PubChem CID8606492
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)c1
InChIInChI=1S/C22H18N4O3/c1-14-24-20-19(7-4-12-23-20)22(28)26(14)17-10-8-16(9-11-17)25-21(27)15-5-3-6-18(13-15)29-2/h3-13H,1-2H3,(H,25,27)
InChIKeyXSKWIHISGSOVCU-UHFFFAOYSA-N
XLogP3.35
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606787
4-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606476
N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 18569220
3-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-nitrobenzamide
CID 8606712
4-ethoxy-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607118
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
N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-3-methoxybenzamide
CID 113082918
3-bromo-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 27543900
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 86151328

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide (CID 8606492) is 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-n3c(C)nc4ncccc4c3=O)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
The InChIKey is XSKWIHISGSOVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-14-24-20-19(7-4-12-23-20)22(28)26(14)17-10-8-16(9-11-17)25-21(27)15-5-3-6-18(13-15)29-2/h3-13H,1-2H3,(H,25,27).
What are the key properties of 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide has a molecular weight of 386.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide is sourced from PubChem (CID 8606492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).