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

C49H34ClF6N9O5 — CID 161255831

IUPAC8-(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
SMILESNC(=O)c1ccc2cncc(-c3ccc(OCC(F)(F)F)cc3)c2n1.NC(=O)c1ccc2cncc(-c3cccc(Cl)c3)c2n1.NC(=O)c1ccc2cncc(-c3cccc(OCC(F)(F)F)c3)c2n1
InChIInChI=1S/2C17H12F3N3O2.C15H10ClN3O/c18-17(19,20)9-25-12-4-1-10(2-5-12)13-8-22-7-11-3-6-14(16(21)24)23-15(11)13;18-17(19,20)9-25-12-3-1-2-10(6-12)13-8-22-7-11-4-5-14(16(21)24)23-15(11)13;16-11-3-1-2-9(6-11)12-8-18-7-10-4-5-13(15(17)20)19-14(10)12/h2*1-8H,9H2,(H2,21,24);1-8H,(H2,17,20)
InChIKeyVBXARKFOSYXMRT-UHFFFAOYSA-N
MW978.31 g/mol
LogP9.72
Rot. Bonds10

About 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

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 (PubChem CID 161255831) has the molecular formula C49H34ClF6N9O5 and a molecular weight of 978.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID161255831
Molecular FormulaC49H34ClF6N9O5
Molecular Weight978.31 g/mol
Exact Mass977.23
IUPAC Name8-(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
SMILESNC(=O)c1ccc2cncc(-c3ccc(OCC(F)(F)F)cc3)c2n1.NC(=O)c1ccc2cncc(-c3cccc(Cl)c3)c2n1.NC(=O)c1ccc2cncc(-c3cccc(OCC(F)(F)F)c3)c2n1
InChIInChI=1S/2C17H12F3N3O2.C15H10ClN3O/c18-17(19,20)9-25-12-4-1-10(2-5-12)13-8-22-7-11-3-6-14(16(21)24)23-15(11)13;18-17(19,20)9-25-12-3-1-2-10(6-12)13-8-22-7-11-4-5-14(16(21)24)23-15(11)13;16-11-3-1-2-9(6-11)12-8-18-7-10-4-5-13(15(17)20)19-14(10)12/h2*1-8H,9H2,(H2,21,24);1-8H,(H2,17,20)
InChIKeyVBXARKFOSYXMRT-UHFFFAOYSA-N
XLogP9.72
TPSA225.07 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500978.31
LogP ≤ 59.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

Methyl 3-[4-(3-chloro-4-fluorophenyl)phenyl]-3-[[6-[4-(trifluoromethyl)phenoxy]isoquinoline-3-carbonyl]amino]propanoate
CID 68868651
8-(3-(2,2,2-Trifluoroethoxyl)phenyl)-1,6-naphthyridine-2-carboxamide
CID 75202890
8-(4-(2,2,2-Trifluoroethoxyl)phenyl)-1,6-naphthyridine-2-carboxamide
CID 75203005
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123665839
4-amino-6-(difluoromethoxy)-N-(2-methoxyiminobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-chloro-6-(difluoromethoxy)-N-(2-methoxyiminobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-N-(2-methoxyiminobutyl)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide
CID 157738604
6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 158994999
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
5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;methane;6-methoxy-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 159755322
N-(1-adamantyl)-6-(2-chlorophenyl)pyridine-2-carboxamide;N-(1-adamantyl)-6-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2-carboxamide;N-(1-adamantyl)-6-(2-fluorophenyl)pyridine-2-carboxamide;N-(1-adamantyl)-6-(2-methoxyphenyl)pyridine-2-carboxamide;N-(1-adamantyl)-6-pyridin-4-ylpyridine-2-carboxamide;N-(1-adamantyl)-6-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 160078017
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
5-(3-Methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
CID 160986568
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 161137567

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)c1ccc2cncc(-c3ccc(OCC(F)(F)F)cc3)c2n1.NC(=O)c1ccc2cncc(-c3cccc(Cl)c3)c2n1.NC(=O)c1ccc2cncc(-c3cccc(OCC(F)(F)F)c3)c2n1.
What is the InChIKey of 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?
The InChIKey is VBXARKFOSYXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H12F3N3O2.C15H10ClN3O/c18-17(19,20)9-25-12-4-1-10(2-5-12)13-8-22-7-11-3-6-14(16(21)24)23-15(11)13;18-17(19,20)9-25-12-3-1-2-10(6-12)13-8-22-7-11-4-5-14(16(21)24)23-15(11)13;16-11-3-1-2-9(6-11)12-8-18-7-10-4-5-13(15(17)20)19-14(10)12/h2*1-8H,9H2,(H2,21,24);1-8H,(H2,17,20).
What are the key properties of 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?
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 has a molecular weight of 978.31 g/mol, XLogP of 9.72, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161255831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).