2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C46H46F6N8O4 — CID 157308023

IUPAC2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N5O.C23H22F3N3O3/c1-15-18(13-17-4-3-7-27-21(17)29-15)22(32)28-14-16-5-6-20(19(12-16)23(24,25)26)31-10-8-30(2)9-11-31;1-14-18(12-16-3-2-8-27-21(16)29-14)22(30)28-13-15-4-5-20(19(11-15)23(24,25)26)32-17-6-9-31-10-7-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,32);2-5,8,11-12,17H,6-7,9-10,13H2,1H3,(H,28,30)
InChIKeyBCSJCTBIFXNKEK-UHFFFAOYSA-N
MW888.91 g/mol
LogP8.08
Rot. Bonds9

About 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 157308023) has the molecular formula C46H46F6N8O4 and a molecular weight of 888.91 g/mol. Its IUPAC name is 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID157308023
Molecular FormulaC46H46F6N8O4
Molecular Weight888.91 g/mol
Exact Mass888.35
IUPAC Name2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C23H24F3N5O.C23H22F3N3O3/c1-15-18(13-17-4-3-7-27-21(17)29-15)22(32)28-14-16-5-6-20(19(12-16)23(24,25)26)31-10-8-30(2)9-11-31;1-14-18(12-16-3-2-8-27-21(16)29-14)22(30)28-13-15-4-5-20(19(11-15)23(24,25)26)32-17-6-9-31-10-7-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,32);2-5,8,11-12,17H,6-7,9-10,13H2,1H3,(H,28,30)
InChIKeyBCSJCTBIFXNKEK-UHFFFAOYSA-N
XLogP8.08
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.91
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-8-fluoro-N-[[3-[4-[4-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]quinolin-8-yl]methyl]quinazoline-4-carboxamide
CID 127042900
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 134146441
4-methoxy-N-[4-methyl-3-[[6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 68039417
US10030016, Example 5.3
CID 68160590
US10030016, Example 5.6
CID 68160930
US12053473, Example I-191
CID 155539628
US10030016, Example 5.4
CID 68161060
[4-[[2-fluoro-4-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]phenoxy]methyl]phenyl]-[4-(methylamino)-2-quinolin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 177895754
[4-[[4-[3-(dimethylamino)prop-1-ynyl]-2-fluorophenoxy]methyl]phenyl]-[4-(methylamino)-2-quinolin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 177895796
4-(1-methylpiperidin-4-yloxy)-3-trifluoromethyl-N-{4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]phenyl}benzamide
CID 11376424
[2-amino-3-fluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 25062636
2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 157308023) is 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(OC2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is BCSJCTBIFXNKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O.C23H22F3N3O3/c1-15-18(13-17-4-3-7-27-21(17)29-15)22(32)28-14-16-5-6-20(19(12-16)23(24,25)26)31-10-8-30(2)9-11-31;1-14-18(12-16-3-2-8-27-21(16)29-14)22(30)28-13-15-4-5-20(19(11-15)23(24,25)26)32-17-6-9-31-10-7-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,28,32);2-5,8,11-12,17H,6-7,9-10,13H2,1H3,(H,28,30).
What are the key properties of 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 888.91 g/mol, XLogP of 8.08, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 157308023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).