2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

C30H21F6N5O2 — CID 20790458

IUPAC2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H21F6N5O2/c31-29(32,33)18-11-13-20(14-12-18)39-26(43)17-37-24-15-22(30(34,35)36)27-23(42)16-25(38-19-7-3-1-4-8-19)41(28(27)40-24)21-9-5-2-6-10-21/h1-16,38H,17H2,(H,37,40)(H,39,43)
InChIKeyBBRFWLCFQZQAFK-UHFFFAOYSA-N
MW597.52 g/mol
LogP7.22
Rot. Bonds7

About 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 20790458) has the molecular formula C30H21F6N5O2 and a molecular weight of 597.52 g/mol. Its IUPAC name is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID20790458
Molecular FormulaC30H21F6N5O2
Molecular Weight597.52 g/mol
Exact Mass597.16
IUPAC Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H21F6N5O2/c31-29(32,33)18-11-13-20(14-12-18)39-26(43)17-37-24-15-22(30(34,35)36)27-23(42)16-25(38-19-7-3-1-4-8-19)41(28(27)40-24)21-9-5-2-6-10-21/h1-16,38H,17H2,(H,37,40)(H,39,43)
InChIKeyBBRFWLCFQZQAFK-UHFFFAOYSA-N
XLogP7.22
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.52
LogP ≤ 57.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 20790458) is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BBRFWLCFQZQAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F6N5O2/c31-29(32,33)18-11-13-20(14-12-18)39-26(43)17-37-24-15-22(30(34,35)36)27-23(42)16-25(38-19-7-3-1-4-8-19)41(28(27)40-24)21-9-5-2-6-10-21/h1-16,38H,17H2,(H,37,40)(H,39,43).
What are the key properties of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 597.52 g/mol, XLogP of 7.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20790458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).