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

C22H15F3N4O2 — CID 18569220

IUPACN-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H15F3N4O2/c1-13-27-19-18(3-2-12-26-19)21(31)29(13)17-10-8-16(9-11-17)28-20(30)14-4-6-15(7-5-14)22(23,24)25/h2-12H,1H3,(H,28,30)
InChIKeyFEBUXVDZIFXASJ-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.36
Rot. Bonds3

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

N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 18569220) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID18569220
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC NameN-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESCc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H15F3N4O2/c1-13-27-19-18(3-2-12-26-19)21(31)29(13)17-10-8-16(9-11-17)28-20(30)14-4-6-15(7-5-14)22(23,24)25/h2-12H,1H3,(H,28,30)
InChIKeyFEBUXVDZIFXASJ-UHFFFAOYSA-N
XLogP4.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606476
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
3-methoxy-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606492
3-methyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-nitrobenzamide
CID 8606712
2-ethyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]butanamide
CID 8606668
3,4-difluoro-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607046
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-ethoxy-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8607118
3-cyclohexyl-N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]propanamide
CID 8606681
3,5-dimethyl-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606887
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
2-methyl-N-[3-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606966

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 18569220) is N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide is Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is FEBUXVDZIFXASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c1-13-27-19-18(3-2-12-26-19)21(31)29(13)17-10-8-16(9-11-17)28-20(30)14-4-6-15(7-5-14)22(23,24)25/h2-12H,1H3,(H,28,30).
What are the key properties of N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 424.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 18569220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).