6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide

C26H24F3N3O5 — CID 58487779

IUPAC6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cccc(OC)n4)CC3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C26H24F3N3O5/c1-35-18-10-11-21(19(14-18)26(27,28)29)37-17-8-6-16(7-9-17)15-30-24(34)25(12-13-25)32-23(33)20-4-3-5-22(31-20)36-2/h3-11,14H,12-13,15H2,1-2H3,(H,30,34)(H,32,33)
InChIKeyFWWKCIZQDBCULQ-UHFFFAOYSA-N
MW515.49 g/mol
LogP4.49
Rot. Bonds9

About 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide

6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide (PubChem CID 58487779) has the molecular formula C26H24F3N3O5 and a molecular weight of 515.49 g/mol. Its IUPAC name is 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
PubChem CID58487779
Molecular FormulaC26H24F3N3O5
Molecular Weight515.49 g/mol
Exact Mass515.17
IUPAC Name6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cccc(OC)n4)CC3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C26H24F3N3O5/c1-35-18-10-11-21(19(14-18)26(27,28)29)37-17-8-6-16(7-9-17)15-30-24(34)25(12-13-25)32-23(33)20-4-3-5-22(31-20)36-2/h3-11,14H,12-13,15H2,1-2H3,(H,30,34)(H,32,33)
InChIKeyFWWKCIZQDBCULQ-UHFFFAOYSA-N
XLogP4.49
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide with MolForge

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Related Compounds

methyl 4-[[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]amino]-4-oxobutanoate
CID 66792611
1-[3-(dimethylamino)propanoylamino]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 25231369
N-[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]oxan-4-yl]pyrimidine-5-carboxamide
CID 70846528
[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]thian-4-yl]carbamic acid
CID 67534795
1-[2-(6-chloro-2-pyridinyl)-2-oxoethyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 58487769
methyl 4-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]phenoxy]-3-(trifluoromethyl)benzoate
CID 66792184
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]furan-2-carboxamide
CID 46898506
1-N'-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopropane-1,1-dicarboxamide
CID 68725061
N-[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 46911668
6-chloro-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
CID 89035809
N-[1-[[5-[4-methoxy-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-6-oxo-1H-pyridine-2-carboxamide
CID 46899377
[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid
CID 66789606

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide (CID 58487779) is 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide is COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4cccc(OC)n4)CC3)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide?
The InChIKey is FWWKCIZQDBCULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O5/c1-35-18-10-11-21(19(14-18)26(27,28)29)37-17-8-6-16(7-9-17)15-30-24(34)25(12-13-25)32-23(33)20-4-3-5-22(31-20)36-2/h3-11,14H,12-13,15H2,1-2H3,(H,30,34)(H,32,33).
What are the key properties of 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide?
6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide has a molecular weight of 515.49 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 58487779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).