N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C46H42F6N8O4 — CID 161193384

IUPACN-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OCCN(C)C)c(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O2.C22H23F3N4O2/c1-15-19(11-18-5-3-9-29-22(18)31-15)23(32)30-13-16-6-7-21(20(10-16)24(25,26)27)33-14-17-4-2-8-28-12-17;1-14-17(12-16-5-4-8-26-20(16)28-14)21(30)27-13-15-6-7-19(31-10-9-29(2)3)18(11-15)22(23,24)25/h2-12H,13-14H2,1H3,(H,30,32);4-8,11-12H,9-10,13H2,1-3H3,(H,27,30)
InChIKeyUUACVDJADMISNY-UHFFFAOYSA-N
MW884.88 g/mol
LogP8.69
Rot. Bonds13

About N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 161193384) has the molecular formula C46H42F6N8O4 and a molecular weight of 884.88 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID161193384
Molecular FormulaC46H42F6N8O4
Molecular Weight884.88 g/mol
Exact Mass884.32
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(OCCN(C)C)c(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F3N4O2.C22H23F3N4O2/c1-15-19(11-18-5-3-9-29-22(18)31-15)23(32)30-13-16-6-7-21(20(10-16)24(25,26)27)33-14-17-4-2-8-28-12-17;1-14-17(12-16-5-4-8-26-20(16)28-14)21(30)27-13-15-6-7-19(31-10-9-29(2)3)18(11-15)22(23,24)25/h2-12H,13-14H2,1H3,(H,30,32);4-8,11-12H,9-10,13H2,1-3H3,(H,27,30)
InChIKeyUUACVDJADMISNY-UHFFFAOYSA-N
XLogP8.69
TPSA144.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.88
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 161193384) is N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(OCCN(C)C)c(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(OCc2cccnc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is UUACVDJADMISNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2.C22H23F3N4O2/c1-15-19(11-18-5-3-9-29-22(18)31-15)23(32)30-13-16-6-7-21(20(10-16)24(25,26)27)33-14-17-4-2-8-28-12-17;1-14-17(12-16-5-4-8-26-20(16)28-14)21(30)27-13-15-6-7-19(31-10-9-29(2)3)18(11-15)22(23,24)25/h2-12H,13-14H2,1H3,(H,30,32);4-8,11-12H,9-10,13H2,1-3H3,(H,27,30).
What are the key properties of N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 884.88 g/mol, XLogP of 8.69, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxy]-3-(trifluoromethyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 161193384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).