N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide

C27H21F6N3O3 — CID 23364040

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCOc1ccc(-c2c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n(C)c(=O)c3ncccc23)cc1
InChIInChI=1S/C27H21F6N3O3/c1-35(14-15-11-17(26(28,29)30)13-18(12-15)27(31,32)33)25(38)23-21(16-6-8-19(39-3)9-7-16)20-5-4-10-34-22(20)24(37)36(23)2/h4-13H,14H2,1-3H3
InChIKeyBWLZVBIYTUWAHR-UHFFFAOYSA-N
MW549.47 g/mol
LogP5.92
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide (PubChem CID 23364040) has the molecular formula C27H21F6N3O3 and a molecular weight of 549.47 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
PubChem CID23364040
Molecular FormulaC27H21F6N3O3
Molecular Weight549.47 g/mol
Exact Mass549.15
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCOc1ccc(-c2c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n(C)c(=O)c3ncccc23)cc1
InChIInChI=1S/C27H21F6N3O3/c1-35(14-15-11-17(26(28,29)30)13-18(12-15)27(31,32)33)25(38)23-21(16-6-8-19(39-3)9-7-16)20-5-4-10-34-22(20)24(37)36(23)2/h4-13H,14H2,1-3H3
InChIKeyBWLZVBIYTUWAHR-UHFFFAOYSA-N
XLogP5.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-8-oxo-5-phenyl-7H-1,7-naphthyridine-6-carboxamide
CID 10458817
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-N,1,7-trimethyl-8-oxo-2H-1,7-naphthyridine-6-carboxamide
CID 23364122
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenyl)-N,2,6-trimethyl-1-oxo-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 10721499
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-methoxyphenyl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide
CID 23502810
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-10-[3-(2-methoxyethoxy)phenyl]-N-methyl-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
CID 139827765
N,2,6,7-tetramethyl-N-[(4-methylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 21463083
N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxamide
CID 10476776
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide
CID 139704424
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-10-(4-formylphenyl)-N-methyl-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
CID 139827761
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-4-phenoxypyrimidine-5-carboxamide
CID 90855108
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-naphthalen-1-yl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
CID 139821907
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenoxy)-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 91604342

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide (CID 23364040) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide is COc1ccc(-c2c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n(C)c(=O)c3ncccc23)cc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The InChIKey is BWLZVBIYTUWAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F6N3O3/c1-35(14-15-11-17(26(28,29)30)13-18(12-15)27(31,32)33)25(38)23-21(16-6-8-19(39-3)9-7-16)20-5-4-10-34-22(20)24(37)36(23)2/h4-13H,14H2,1-3H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide has a molecular weight of 549.47 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 23364040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).