3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

C21H16F2N4O2 — CID 69482504

IUPAC3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESO=C(NC1=NCC2=CN(C(=O)c3ccc(F)cc3)CCC2=N1)c1cccc(F)c1
InChIInChI=1S/C21H16F2N4O2/c22-16-6-4-13(5-7-16)20(29)27-9-8-18-15(12-27)11-24-21(25-18)26-19(28)14-2-1-3-17(23)10-14/h1-7,10,12H,8-9,11H2,(H,24,26,28)
InChIKeyKYKHJVMWQDCZKG-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.94
Rot. Bonds2

About 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (PubChem CID 69482504) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
PubChem CID69482504
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESO=C(NC1=NCC2=CN(C(=O)c3ccc(F)cc3)CCC2=N1)c1cccc(F)c1
InChIInChI=1S/C21H16F2N4O2/c22-16-6-4-13(5-7-16)20(29)27-9-8-18-15(12-27)11-24-21(25-18)26-19(28)14-2-1-3-17(23)10-14/h1-7,10,12H,8-9,11H2,(H,24,26,28)
InChIKeyKYKHJVMWQDCZKG-UHFFFAOYSA-N
XLogP2.94
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (CID 69482504) is 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is O=C(NC1=NCC2=CN(C(=O)c3ccc(F)cc3)CCC2=N1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is KYKHJVMWQDCZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c22-16-6-4-13(5-7-16)20(29)27-9-8-18-15(12-27)11-24-21(25-18)26-19(28)14-2-1-3-17(23)10-14/h1-7,10,12H,8-9,11H2,(H,24,26,28).
What are the key properties of 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 394.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(4-fluorobenzoyl)-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 69482504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).