1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea

C28H20F3N5O2 — CID 20790395

IUPAC1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C28H20F3N5O2/c29-28(30,31)21-16-23(35-27(38)33-19-12-6-2-7-13-19)34-26-25(21)22(37)17-24(32-18-10-4-1-5-11-18)36(26)20-14-8-3-9-15-20/h1-17,32H,(H2,33,34,35,38)
InChIKeyHDFACFWEYCBRSG-UHFFFAOYSA-N
MW515.50 g/mol
LogP6.79
Rot. Bonds5

About 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea

1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea (PubChem CID 20790395) has the molecular formula C28H20F3N5O2 and a molecular weight of 515.50 g/mol. Its IUPAC name is 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea
PubChem CID20790395
Molecular FormulaC28H20F3N5O2
Molecular Weight515.50 g/mol
Exact Mass515.16
IUPAC Name1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C28H20F3N5O2/c29-28(30,31)21-16-23(35-27(38)33-19-12-6-2-7-13-19)34-26-25(21)22(37)17-24(32-18-10-4-1-5-11-18)36(26)20-14-8-3-9-15-20/h1-17,32H,(H2,33,34,35,38)
InChIKeyHDFACFWEYCBRSG-UHFFFAOYSA-N
XLogP6.79
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.50
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Vx-702
CID 10341154
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481
7-Amino-2-phenyl-[1,8]naphthyridin-4-ol
CID 14686958
2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468785
3-Acyl-2,6-diaminopyridine deriv. 2a
CID 5330815
3-Acyl-2,6-diaminopyridine deriv. 2g
CID 5330821
3-Acyl-2,6-diaminopyridine deriv. 2h
CID 5330822
7-Fluoro-2-phenyl-1,8-naphthyridin-4-ol
CID 10728732
7-Cyclohexylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 11415926
N-(5-oxo-7-phenyl-8H-1,8-naphthyridin-2-yl)acetamide
CID 14686969

Frequently Asked Questions

What is the IUPAC name of 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea?
The IUPAC name of 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea (CID 20790395) is 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea?
The canonical SMILES for 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea?
The InChIKey is HDFACFWEYCBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N5O2/c29-28(30,31)21-16-23(35-27(38)33-19-12-6-2-7-13-19)34-26-25(21)22(37)17-24(32-18-10-4-1-5-11-18)36(26)20-14-8-3-9-15-20/h1-17,32H,(H2,33,34,35,38).
What are the key properties of 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea?
1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea has a molecular weight of 515.50 g/mol, XLogP of 6.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-3-phenylurea is sourced from PubChem (CID 20790395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).