2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide

C28H31F3N4O2 — CID 142224726

IUPAC2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide
SMILESCCCC.CN(C)C=O.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(C(F)(F)F)c12
InChIInChI=1S/C21H14F3N3O.C4H10.C3H7NO/c22-21(23,24)16-11-12-25-20-19(16)17(28)13-18(26-14-7-3-1-4-8-14)27(20)15-9-5-2-6-10-15;1-3-4-2;1-4(2)3-5/h1-13,26H;3-4H2,1-2H3;3H,1-2H3
InChIKeyWDTPHQSYSIHLPJ-UHFFFAOYSA-N
MW512.58 g/mol
LogP6.66
Rot. Bonds5

About 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide

2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide (PubChem CID 142224726) has the molecular formula C28H31F3N4O2 and a molecular weight of 512.58 g/mol. Its IUPAC name is 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide.

Molecular Properties

Compound Name2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide
PubChem CID142224726
Molecular FormulaC28H31F3N4O2
Molecular Weight512.58 g/mol
Exact Mass512.24
IUPAC Name2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide
SMILESCCCC.CN(C)C=O.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(C(F)(F)F)c12
InChIInChI=1S/C21H14F3N3O.C4H10.C3H7NO/c22-21(23,24)16-11-12-25-20-19(16)17(28)13-18(26-14-7-3-1-4-8-14)27(20)15-9-5-2-6-10-15;1-3-4-2;1-4(2)3-5/h1-13,26H;3-4H2,1-2H3;3H,1-2H3
InChIKeyWDTPHQSYSIHLPJ-UHFFFAOYSA-N
XLogP6.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.58
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
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CID 71623038
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
CID 118473558
n-Isopropyl-1-[3-(3-acetylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 9932192
1-(4''-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
CID 10113183
1-methyl-4-oxo-N-pyridin-2-yl-1,4-dihydroquinoline-3-carboxamide
CID 5297270
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
4-(Benzylamino)-6-({4-[(1-Methylpiperidin-4-Yl)carbamoyl]phenyl}amino)pyridine-3-Carboxamide
CID 131704460
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10833725
N-(5-methyl-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 44449445
N-(5-fluoro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
CID 44449470
6-Anilino-4-[[3-(prop-2-enoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 137632228

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide?
The IUPAC name of 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide (CID 142224726) is 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide.
What is the SMILES notation for 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide?
The canonical SMILES for 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide is CCCC.CN(C)C=O.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nccc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide?
The InChIKey is WDTPHQSYSIHLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O.C4H10.C3H7NO/c22-21(23,24)16-11-12-25-20-19(16)17(28)13-18(26-14-7-3-1-4-8-14)27(20)15-9-5-2-6-10-15;1-3-4-2;1-4(2)3-5/h1-13,26H;3-4H2,1-2H3;3H,1-2H3.
What are the key properties of 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide?
2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide has a molecular weight of 512.58 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide is sourced from PubChem (CID 142224726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).