2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide

C23H19FN4O3 — CID 8607382

IUPAC2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-n2c(C)nc3ncccc3c2=O)ccc1F
InChIInChI=1S/C23H19FN4O3/c1-3-31-20-9-5-4-7-16(20)22(29)27-19-13-15(10-11-18(19)24)28-14(2)26-21-17(23(28)30)8-6-12-25-21/h4-13H,3H2,1-2H3,(H,27,29)
InChIKeyJZJJAZGIRAJPCU-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.88
Rot. Bonds5

About 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide

2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide (PubChem CID 8607382) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
PubChem CID8607382
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-n2c(C)nc3ncccc3c2=O)ccc1F
InChIInChI=1S/C23H19FN4O3/c1-3-31-20-9-5-4-7-16(20)22(29)27-19-13-15(10-11-18(19)24)28-14(2)26-21-17(23(28)30)8-6-12-25-21/h4-13H,3H2,1-2H3,(H,27,29)
InChIKeyJZJJAZGIRAJPCU-UHFFFAOYSA-N
XLogP3.88
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 27543900
N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-2-methyl-3-nitrobenzamide
CID 26842235
2-methyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606966
3-(3-ethoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 86151328
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
4-ethoxy-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607118
3,5-dimethyl-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606887
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607046
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716
5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077291
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide (CID 8607382) is 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cc(-n2c(C)nc3ncccc3c2=O)ccc1F.
What is the InChIKey of 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
The InChIKey is JZJJAZGIRAJPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-3-31-20-9-5-4-7-16(20)22(29)27-19-13-15(10-11-18(19)24)28-14(2)26-21-17(23(28)30)8-6-12-25-21/h4-13H,3H2,1-2H3,(H,27,29).
What are the key properties of 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide has a molecular weight of 418.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide is sourced from PubChem (CID 8607382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).