8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

C49H36ClF4N9O4 — CID 160605468

IUPAC8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCc1cc2cncc(-c3ccc(Cl)cc3)c2nc1C(N)=O.Cc1cc2cncc(-c3ccc(F)cc3)c2nc1C(N)=O.Cc1cc2cncc(-c3ccc(OC(F)(F)F)cc3)c2nc1C(N)=O
InChIInChI=1S/C17H12F3N3O2.C16H12ClN3O.C16H12FN3O/c1-9-6-11-7-22-8-13(15(11)23-14(9)16(21)24)10-2-4-12(5-3-10)25-17(18,19)20;2*1-9-6-11-7-19-8-13(10-2-4-12(17)5-3-10)15(11)20-14(9)16(18)21/h2-8H,1H3,(H2,21,24);2*2-8H,1H3,(H2,18,21)
InChIKeyREUUDALKUZUVMY-UHFFFAOYSA-N
MW926.33 g/mol
LogP9.80
Rot. Bonds7

About 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 160605468) has the molecular formula C49H36ClF4N9O4 and a molecular weight of 926.33 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID160605468
Molecular FormulaC49H36ClF4N9O4
Molecular Weight926.33 g/mol
Exact Mass925.25
IUPAC Name8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCc1cc2cncc(-c3ccc(Cl)cc3)c2nc1C(N)=O.Cc1cc2cncc(-c3ccc(F)cc3)c2nc1C(N)=O.Cc1cc2cncc(-c3ccc(OC(F)(F)F)cc3)c2nc1C(N)=O
InChIInChI=1S/C17H12F3N3O2.C16H12ClN3O.C16H12FN3O/c1-9-6-11-7-22-8-13(15(11)23-14(9)16(21)24)10-2-4-12(5-3-10)25-17(18,19)20;2*1-9-6-11-7-19-8-13(10-2-4-12(17)5-3-10)15(11)20-14(9)16(18)21/h2-8H,1H3,(H2,21,24);2*2-8H,1H3,(H2,18,21)
InChIKeyREUUDALKUZUVMY-UHFFFAOYSA-N
XLogP9.80
TPSA215.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.33
LogP ≤ 59.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,6-naphthyridine-2-carboxamide
CID 3631905
3-Methyl-8-(4-(trifluoromethoxy)phenyl)-1,6-naphthyridine-2-carboxamide
CID 75202889
5-(4-Chlorophenyl)-1,7-naphthyridine-3-carboxamide;5-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide;5-[4-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
CID 159338640
8-(4-chlorophenyl)-N-(3-hydroxy-3-methylbutan-2-yl)-1,6-naphthyridine-2-carboxamide;N-(3-hydroxy-3-methylbutan-2-yl)-8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
CID 158108271
8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
CID 159127065
8-(4-Morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
CID 159723066
8-(3-Chlorophenyl)-1,6-naphthyridine-2-carboxamide;8-[3-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide;8-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
CID 161255831
8-(3-Morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
CID 161975131
5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide
CID 123645654
7-[2-(6-Chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[1-hydroxy-2-(6-methyl-3-pyridinyl)ethyl]quinoline-2-carboxamide;bis(4-(4-fluorophenyl)-7-[1-(6-methyl-3-pyridinyl)propan-2-yl]quinoline-2-carboxamide);4-(4-fluorophenyl)-7-(1-pyridin-3-ylpropan-2-yl)quinoline-2-carboxamide
CID 157863732
4-chloro-1,6-naphthyridine;5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-ylpyridin-3-amine;N-[5-(4-fluoro-3-methylphenyl)-6-methoxy-2-propan-2-yl-3-pyridinyl]-1,6-naphthyridin-4-amine;3-(4-fluoro-3-methylphenyl)-5-(1,6-naphthyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
CID 158634516
Bis(4-(2-fluoro-4-methoxyphenyl)-7-(1-pyridin-3-ylpropan-2-yl)quinoline-2-carboxamide);7-[1-[6-(fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide;4-(4-methoxyphenyl)-7-[1-(6-methyl-3-pyridinyl)propan-2-yl]quinoline-2-carboxamide
CID 160435666

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (CID 160605468) is 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is Cc1cc2cncc(-c3ccc(Cl)cc3)c2nc1C(N)=O.Cc1cc2cncc(-c3ccc(F)cc3)c2nc1C(N)=O.Cc1cc2cncc(-c3ccc(OC(F)(F)F)cc3)c2nc1C(N)=O.
What is the InChIKey of 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is REUUDALKUZUVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2.C16H12ClN3O.C16H12FN3O/c1-9-6-11-7-22-8-13(15(11)23-14(9)16(21)24)10-2-4-12(5-3-10)25-17(18,19)20;2*1-9-6-11-7-19-8-13(10-2-4-12(17)5-3-10)15(11)20-14(9)16(18)21/h2-8H,1H3,(H2,21,24);2*2-8H,1H3,(H2,18,21).
What are the key properties of 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 926.33 g/mol, XLogP of 9.80, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;8-(4-fluorophenyl)-3-methyl-1,6-naphthyridine-2-carboxamide;3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 160605468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).