4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide

C21H15FN4O3 — CID 22225040

IUPAC4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCc1nc(Oc2ccc(F)cc2)nc2c1ccc(=O)n2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C21H15FN4O3/c1-12-17-10-11-18(27)26(15-6-2-13(3-7-15)19(23)28)20(17)25-21(24-12)29-16-8-4-14(22)5-9-16/h2-11H,1H3,(H2,23,28)
InChIKeyFVKKFTPZHAIKTH-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.12
Rot. Bonds4

About 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide

4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (PubChem CID 22225040) has the molecular formula C21H15FN4O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
PubChem CID22225040
Molecular FormulaC21H15FN4O3
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Name4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCc1nc(Oc2ccc(F)cc2)nc2c1ccc(=O)n2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C21H15FN4O3/c1-12-17-10-11-18(27)26(15-6-2-13(3-7-15)19(23)28)20(17)25-21(24-12)29-16-8-4-14(22)5-9-16/h2-11H,1H3,(H2,23,28)
InChIKeyFVKKFTPZHAIKTH-UHFFFAOYSA-N
XLogP3.12
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The IUPAC name of 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (CID 22225040) is 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The canonical SMILES for 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is Cc1nc(Oc2ccc(F)cc2)nc2c1ccc(=O)n2-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The InChIKey is FVKKFTPZHAIKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O3/c1-12-17-10-11-18(27)26(15-6-2-13(3-7-15)19(23)28)20(17)25-21(24-12)29-16-8-4-14(22)5-9-16/h2-11H,1H3,(H2,23,28).
What are the key properties of 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide has a molecular weight of 390.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is sourced from PubChem (CID 22225040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).