6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide

C43H40F4N6O4 — CID 158474137

IUPAC6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CC(F)C3)c3ccccc23)nc1.NC(=O)c1ccc(Oc2ccc(CN3CCC(C(F)(F)F)CC3)c3ccccc23)nc1
InChIInChI=1S/C23H22F3N3O2.C20H18FN3O2/c24-23(25,26)17-9-11-29(12-10-17)14-16-5-7-20(19-4-2-1-3-18(16)19)31-21-8-6-15(13-28-21)22(27)30;21-15-11-24(12-15)10-14-5-7-18(17-4-2-1-3-16(14)17)26-19-8-6-13(9-23-19)20(22)25/h1-8,13,17H,9-12,14H2,(H2,27,30);1-9,15H,10-12H2,(H2,22,25)
InChIKeyHGSLIDMJWZXGFQ-UHFFFAOYSA-N
MW780.82 g/mol
LogP8.18
Rot. Bonds10

About 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide

6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide (PubChem CID 158474137) has the molecular formula C43H40F4N6O4 and a molecular weight of 780.82 g/mol. Its IUPAC name is 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
PubChem CID158474137
Molecular FormulaC43H40F4N6O4
Molecular Weight780.82 g/mol
Exact Mass780.30
IUPAC Name6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN3CC(F)C3)c3ccccc23)nc1.NC(=O)c1ccc(Oc2ccc(CN3CCC(C(F)(F)F)CC3)c3ccccc23)nc1
InChIInChI=1S/C23H22F3N3O2.C20H18FN3O2/c24-23(25,26)17-9-11-29(12-10-17)14-16-5-7-20(19-4-2-1-3-18(16)19)31-21-8-6-15(13-28-21)22(27)30;21-15-11-24(12-15)10-14-5-7-18(17-4-2-1-3-16(14)17)26-19-8-6-13(9-23-19)20(22)25/h1-8,13,17H,9-12,14H2,(H2,27,30);1-9,15H,10-12H2,(H2,22,25)
InChIKeyHGSLIDMJWZXGFQ-UHFFFAOYSA-N
XLogP8.18
TPSA136.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.82
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide (CID 158474137) is 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CN3CC(F)C3)c3ccccc23)nc1.NC(=O)c1ccc(Oc2ccc(CN3CCC(C(F)(F)F)CC3)c3ccccc23)nc1.
What is the InChIKey of 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
The InChIKey is HGSLIDMJWZXGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2.C20H18FN3O2/c24-23(25,26)17-9-11-29(12-10-17)14-16-5-7-20(19-4-2-1-3-18(16)19)31-21-8-6-15(13-28-21)22(27)30;21-15-11-24(12-15)10-14-5-7-18(17-4-2-1-3-16(14)17)26-19-8-6-13(9-23-19)20(22)25/h1-8,13,17H,9-12,14H2,(H2,27,30);1-9,15H,10-12H2,(H2,22,25).
What are the key properties of 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide has a molecular weight of 780.82 g/mol, XLogP of 8.18, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 158474137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).