N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C41H41F3N6O3 — CID 158732141

IUPACN-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccnc2nc(C)c(C(=O)NCc3cccc(C(F)(F)F)c3)cc12.Cc1nc2ncccc2c(C)c1C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O.C19H16F3N3O2/c1-14-18-7-6-12-23-20(18)25-15(2)19(14)21(26)24-13-16-8-10-17(11-9-16)22(3,4)5;1-11-14(9-15-16(27-2)6-7-23-17(15)25-11)18(26)24-10-12-4-3-5-13(8-12)19(20,21)22/h6-12H,13H2,1-5H3,(H,24,26);3-9H,10H2,1-2H3,(H,24,26)
InChIKeyILFMYUBCKOSDIV-UHFFFAOYSA-N
MW722.81 g/mol
LogP8.37
Rot. Bonds7

About N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 158732141) has the molecular formula C41H41F3N6O3 and a molecular weight of 722.81 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID158732141
Molecular FormulaC41H41F3N6O3
Molecular Weight722.81 g/mol
Exact Mass722.32
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccnc2nc(C)c(C(=O)NCc3cccc(C(F)(F)F)c3)cc12.Cc1nc2ncccc2c(C)c1C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O.C19H16F3N3O2/c1-14-18-7-6-12-23-20(18)25-15(2)19(14)21(26)24-13-16-8-10-17(11-9-16)22(3,4)5;1-11-14(9-15-16(27-2)6-7-23-17(15)25-11)18(26)24-10-12-4-3-5-13(8-12)19(20,21)22/h6-12H,13H2,1-5H3,(H,24,26);3-9H,10H2,1-2H3,(H,24,26)
InChIKeyILFMYUBCKOSDIV-UHFFFAOYSA-N
XLogP8.37
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.81
LogP ≤ 58.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

[4-(7-Methoxypyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466587
(4-Methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099018
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 119099039
US12053473, Example I-191
CID 155539628
4-amino-N-(6-methyl-1-((2-(trifluoromethyl)pyridin-4-yl)amino)isoquinolin-5-yl)quinazoline-8-carboxamide
CID 163272215
2-[[5-(2-aminopropan-2-yl)-8-methoxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 165380863
6-[difluoro(pyrimidin-5-yl)methyl]-N-(6-methoxy-2-pyridinyl)quinoline-8-carboxamide
CID 145966503
[2-Amino-4-(trifluoromethoxy)phenyl]-[4-[2-methyl-7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 154701643
US10221161, Example 18
CID 121393219
(4-((3-Methoxyphenyl)amino)-7-methyl-1,8-naphthyridin-3-yl)(piperidin-1-yl)methanone
CID 49660418
3-(azepane-1-carbonyl)-N-(3-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine
CID 49660451
4-amino-N~3~-(4-methoxybenzyl)-N~5~-[3-(trifluoromethyl)benzyl]isothiazole-3,5-dicarboxamide
CID 49660635

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 158732141) is N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is COc1ccnc2nc(C)c(C(=O)NCc3cccc(C(F)(F)F)c3)cc12.Cc1nc2ncccc2c(C)c1C(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is ILFMYUBCKOSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.C19H16F3N3O2/c1-14-18-7-6-12-23-20(18)25-15(2)19(14)21(26)24-13-16-8-10-17(11-9-16)22(3,4)5;1-11-14(9-15-16(27-2)6-7-23-17(15)25-11)18(26)24-10-12-4-3-5-13(8-12)19(20,21)22/h6-12H,13H2,1-5H3,(H,24,26);3-9H,10H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 722.81 g/mol, XLogP of 8.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2,4-dimethyl-1,8-naphthyridine-3-carboxamide;5-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 158732141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).