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

C29H22F3N5O2 — CID 20790461

IUPAC2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide
SMILESO=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccccc1
InChIInChI=1S/C29H22F3N5O2/c30-29(31,32)22-16-24(33-18-26(39)35-20-12-6-2-7-13-20)36-28-27(22)23(38)17-25(34-19-10-4-1-5-11-19)37(28)21-14-8-3-9-15-21/h1-17,34H,18H2,(H,33,36)(H,35,39)
InChIKeyYCQHSCNOPXPWDI-UHFFFAOYSA-N
MW529.52 g/mol
LogP6.20
Rot. Bonds7

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

2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide (PubChem CID 20790461) has the molecular formula C29H22F3N5O2 and a molecular weight of 529.52 g/mol. Its IUPAC name is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide
PubChem CID20790461
Molecular FormulaC29H22F3N5O2
Molecular Weight529.52 g/mol
Exact Mass529.17
IUPAC Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide
SMILESO=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccccc1
InChIInChI=1S/C29H22F3N5O2/c30-29(31,32)22-16-24(33-18-26(39)35-20-12-6-2-7-13-20)36-28-27(22)23(38)17-25(34-19-10-4-1-5-11-19)37(28)21-14-8-3-9-15-21/h1-17,34H,18H2,(H,33,36)(H,35,39)
InChIKeyYCQHSCNOPXPWDI-UHFFFAOYSA-N
XLogP6.20
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.52
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-phenylacetamide?
The IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide (CID 20790461) is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide is O=C(CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1)Nc1ccccc1.
What is the InChIKey of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide?
The InChIKey is YCQHSCNOPXPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N5O2/c30-29(31,32)22-16-24(33-18-26(39)35-20-12-6-2-7-13-20)36-28-27(22)23(38)17-25(34-19-10-4-1-5-11-19)37(28)21-14-8-3-9-15-21/h1-17,34H,18H2,(H,33,36)(H,35,39).
What are the key properties of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide?
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N-phenylacetamide has a molecular weight of 529.52 g/mol, XLogP of 6.20, 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-phenylacetamide is sourced from PubChem (CID 20790461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).