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

C36H29F6N7O3 — CID 160725131

IUPAC2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCNc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.COc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O.C18H14F3N3O2/c1-22-16-14(9-12-5-3-7-23-15(12)25-16)17(26)24-10-11-4-2-6-13(8-11)18(19,20)21;1-26-17-14(9-12-5-3-7-22-15(12)24-17)16(25)23-10-11-4-2-6-13(8-11)18(19,20)21/h2-9H,10H2,1H3,(H,24,26)(H,22,23,25);2-9H,10H2,1H3,(H,23,25)
InChIKeyRTPKXFWAQARMBW-UHFFFAOYSA-N
MW721.66 g/mol
LogP7.21
Rot. Bonds8

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

2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 160725131) has the molecular formula C36H29F6N7O3 and a molecular weight of 721.66 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID160725131
Molecular FormulaC36H29F6N7O3
Molecular Weight721.66 g/mol
Exact Mass721.22
IUPAC Name2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCNc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.COc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O.C18H14F3N3O2/c1-22-16-14(9-12-5-3-7-23-15(12)25-16)17(26)24-10-11-4-2-6-13(8-11)18(19,20)21;1-26-17-14(9-12-5-3-7-22-15(12)24-17)16(25)23-10-11-4-2-6-13(8-11)18(19,20)21/h2-9H,10H2,1H3,(H,24,26)(H,22,23,25);2-9H,10H2,1H3,(H,23,25)
InChIKeyRTPKXFWAQARMBW-UHFFFAOYSA-N
XLogP7.21
TPSA131.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.66
LogP ≤ 57.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-difluorophenyl)-2-methoxy-N-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide
CID 118293473
(2-Methoxyphenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099012
6-[difluoro(pyrimidin-5-yl)methyl]-N-(6-methoxy-2-pyridinyl)quinoline-8-carboxamide
CID 145966503
US10221161, Example 19
CID 121393195
(4-((3-Methoxyphenyl)amino)-7-methyl-1,8-naphthyridin-3-yl)(piperidin-1-yl)methanone
CID 49660418
(7-Methyl-4-((3-(trifluoromethoxy)phenyl)amino)-1,8-naphthyridin-3-yl)(morpholino)methanone
CID 49660515
N,N-diethyl-7-methyl-4-{[3-(trifluoromethoxy)phenyl]amino}-1,8-naphthyridine-3-carboxamide
CID 49660765
[(3S)-3-methylpiperidin-1-yl]-[7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridin-3-yl]methanone
CID 52313357
2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908003
2-methyl-N-[[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908096
2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908390
2-methyl-N-[[4-(pyridin-3-ylmethoxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46909358

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 160725131) is 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is CNc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.COc1nc2ncccc2cc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is RTPKXFWAQARMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O.C18H14F3N3O2/c1-22-16-14(9-12-5-3-7-23-15(12)25-16)17(26)24-10-11-4-2-6-13(8-11)18(19,20)21;1-26-17-14(9-12-5-3-7-22-15(12)24-17)16(25)23-10-11-4-2-6-13(8-11)18(19,20)21/h2-9H,10H2,1H3,(H,24,26)(H,22,23,25);2-9H,10H2,1H3,(H,23,25).
What are the key properties of 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 721.66 g/mol, XLogP of 7.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 160725131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).