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

C21H14F2N4O2 — CID 8607046

IUPAC3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
SMILESCc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H14F2N4O2/c1-12-25-19-16(6-3-9-24-19)21(29)27(12)15-5-2-4-14(11-15)26-20(28)13-7-8-17(22)18(23)10-13/h2-11H,1H3,(H,26,28)
InChIKeyDYHWFTUUZRPCDB-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.62
Rot. Bonds3

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

3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide (PubChem CID 8607046) has the molecular formula C21H14F2N4O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
PubChem CID8607046
Molecular FormulaC21H14F2N4O2
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
SMILESCc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H14F2N4O2/c1-12-25-19-16(6-3-9-24-19)21(29)27(12)15-5-2-4-14(11-15)26-20(28)13-7-8-17(22)18(23)10-13/h2-11H,1H3,(H,26,28)
InChIKeyDYHWFTUUZRPCDB-UHFFFAOYSA-N
XLogP3.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
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
2-methyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606966
N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606946
3-bromo-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 27543900
3,3-dimethyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606941
4-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606476
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 18569220
3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606492
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
3-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-nitrobenzamide
CID 8606712
3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 16830173

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide (CID 8607046) is 3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide is Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
The InChIKey is DYHWFTUUZRPCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2/c1-12-25-19-16(6-3-9-24-19)21(29)27(12)15-5-2-4-14(11-15)26-20(28)13-7-8-17(22)18(23)10-13/h2-11H,1H3,(H,26,28).
What are the key properties of 3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide?
3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide has a molecular weight of 392.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide is sourced from PubChem (CID 8607046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).