N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C48H39F3N6O3 — CID 157270916

IUPACN-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2cccc(CNC(=O)c3cc4cccnc4nc3C)c2)cc1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N3O.C24H21N3O2/c1-15-20(13-18-5-4-12-28-22(18)30-15)23(31)29-14-16-8-10-17(11-9-16)19-6-2-3-7-21(19)24(25,26)27;1-16-22(14-20-7-4-12-25-23(20)27-16)24(28)26-15-17-5-3-6-19(13-17)18-8-10-21(29-2)11-9-18/h2-13H,14H2,1H3,(H,29,31);3-14H,15H2,1-2H3,(H,26,28)
InChIKeyAYNIWZGBYJCWBB-UHFFFAOYSA-N
MW804.87 g/mol
LogP10.10
Rot. Bonds9

About N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide

N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 157270916) has the molecular formula C48H39F3N6O3 and a molecular weight of 804.87 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID157270916
Molecular FormulaC48H39F3N6O3
Molecular Weight804.87 g/mol
Exact Mass804.30
IUPAC NameN-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-c2cccc(CNC(=O)c3cc4cccnc4nc3C)c2)cc1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H18F3N3O.C24H21N3O2/c1-15-20(13-18-5-4-12-28-22(18)30-15)23(31)29-14-16-8-10-17(11-9-16)19-6-2-3-7-21(19)24(25,26)27;1-16-22(14-20-7-4-12-25-23(20)27-16)24(28)26-15-17-5-3-6-19(13-17)18-8-10-21(29-2)11-9-18/h2-13H,14H2,1H3,(H,29,31);3-14H,15H2,1-2H3,(H,26,28)
InChIKeyAYNIWZGBYJCWBB-UHFFFAOYSA-N
XLogP10.10
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.87
LogP ≤ 510.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71449506
4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide
CID 71454858
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,7-trimethyl-1,8-naphthyridine-3-carboxamide
CID 10814587
N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-yl-2-pyridinyl)amino]benzamide
CID 168298533
US10030016, Example 5.3
CID 68160590
US10030016, Example 5.6
CID 68160930
2-(6-Methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119098978
2-(6-Methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]propan-1-one
CID 119098980
(1-Methoxynaphthalen-2-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098989
(4-Methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099018
4-amino-N-(1-((2,4-difluorophenyl)amino)-6-methylisoquinolin-5-yl)-6-fluoroquinazoline-8-carboxamide
CID 163272087
4-amino-N-(1-((2,5-difluorophenyl)amino)-6-methylisoquinolin-5-yl)quinazoline-8-carboxamide
CID 163272115

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 157270916) is N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide is COc1ccc(-c2cccc(CNC(=O)c3cc4cccnc4nc3C)c2)cc1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is AYNIWZGBYJCWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O.C24H21N3O2/c1-15-20(13-18-5-4-12-28-22(18)30-15)23(31)29-14-16-8-10-17(11-9-16)19-6-2-3-7-21(19)24(25,26)27;1-16-22(14-20-7-4-12-25-23(20)27-16)24(28)26-15-17-5-3-6-19(13-17)18-8-10-21(29-2)11-9-18/h2-13H,14H2,1H3,(H,29,31);3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 804.87 g/mol, XLogP of 10.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 157270916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).