3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one

C20H15FN4O — CID 134805251

IUPAC3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(Nc3cccc(F)c3)ccc2ncn1Cc1ccccc1
InChIInChI=1S/C20H15FN4O/c21-15-7-4-8-16(11-15)23-18-10-9-17-19(24-18)20(26)25(13-22-17)12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,24)
InChIKeyCOFDXWJBQAIPEK-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.72
Rot. Bonds4

About 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one

3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805251) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134805251
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(Nc3cccc(F)c3)ccc2ncn1Cc1ccccc1
InChIInChI=1S/C20H15FN4O/c21-15-7-4-8-16(11-15)23-18-10-9-17-19(24-18)20(26)25(13-22-17)12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,24)
InChIKeyCOFDXWJBQAIPEK-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Vx-702
CID 10341154
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-4-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548188
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548248
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-6-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548255
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-5-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548382
4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442
3-amino-N-[4-(2-amino-4-pyridinyl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68161034
3-amino-N-[4-(2-amino-6-methyl-4-pyridinyl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68163204
N-(5-fluoro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 44449470
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11494093

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one (CID 134805251) is 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(Nc3cccc(F)c3)ccc2ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is COFDXWJBQAIPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-15-7-4-8-16(11-15)23-18-10-9-17-19(24-18)20(26)25(13-22-17)12-14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,24).
What are the key properties of 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one?
3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 346.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(3-fluoroanilino)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).