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

C30H23F3N4O2 — CID 20791218

IUPACN-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)c1ccccc1
InChIInChI=1S/C30H23F3N4O2/c1-20(38)36(23-13-7-3-8-14-23)19-22-17-25(30(31,32)33)28-26(39)18-27(34-21-11-5-2-6-12-21)37(29(28)35-22)24-15-9-4-10-16-24/h2-18,34H,19H2,1H3
InChIKeyZRECQSMRFHSURW-UHFFFAOYSA-N
MW528.53 g/mol
LogP6.70
Rot. Bonds6

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

N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide (PubChem CID 20791218) has the molecular formula C30H23F3N4O2 and a molecular weight of 528.53 g/mol. Its IUPAC name is N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide
PubChem CID20791218
Molecular FormulaC30H23F3N4O2
Molecular Weight528.53 g/mol
Exact Mass528.18
IUPAC NameN-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)c1ccccc1
InChIInChI=1S/C30H23F3N4O2/c1-20(38)36(23-13-7-3-8-14-23)19-22-17-25(30(31,32)33)28-26(39)18-27(34-21-11-5-2-6-12-21)37(29(28)35-22)24-15-9-4-10-16-24/h2-18,34H,19H2,1H3
InChIKeyZRECQSMRFHSURW-UHFFFAOYSA-N
XLogP6.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.53
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide?
The IUPAC name of N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide (CID 20791218) is N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide.
What is the SMILES notation for N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide?
The canonical SMILES for N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide is CC(=O)N(Cc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)c1ccccc1.
What is the InChIKey of N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide?
The InChIKey is ZRECQSMRFHSURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O2/c1-20(38)36(23-13-7-3-8-14-23)19-22-17-25(30(31,32)33)28-26(39)18-27(34-21-11-5-2-6-12-21)37(29(28)35-22)24-15-9-4-10-16-24/h2-18,34H,19H2,1H3.
What are the key properties of N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide?
N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide has a molecular weight of 528.53 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]methyl]-N-phenylacetamide is sourced from PubChem (CID 20791218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).