6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C25H22ClF3N4O2 — CID 89463663

IUPAC6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cc1Cl
InChIInChI=1S/C25H22ClF3N4O2/c26-21-12-17(13-32-23(21)30)24(34)33-19-7-4-15(5-8-19)10-16-2-1-3-20(11-16)35-22-9-6-18(14-31-22)25(27,28)29/h1-3,6,9-14,19H,4-5,7-8H2,(H2,30,32)(H,33,34)/b15-10-
InChIKeyIXPSVFXVBJDSFQ-GDNBJRDFSA-N
MW502.92 g/mol
LogP6.28
Rot. Bonds5

About 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89463663) has the molecular formula C25H22ClF3N4O2 and a molecular weight of 502.92 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89463663
Molecular FormulaC25H22ClF3N4O2
Molecular Weight502.92 g/mol
Exact Mass502.14
IUPAC Name6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cc1Cl
InChIInChI=1S/C25H22ClF3N4O2/c26-21-12-17(13-32-23(21)30)24(34)33-19-7-4-15(5-8-19)10-16-2-1-3-20(11-16)35-22-9-6-18(14-31-22)25(27,28)29/h1-3,6,9-14,19H,4-5,7-8H2,(H2,30,32)(H,33,34)/b15-10-
InChIKeyIXPSVFXVBJDSFQ-GDNBJRDFSA-N
XLogP6.28
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.92
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89463663) is 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is Nc1ncc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is IXPSVFXVBJDSFQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C25H22ClF3N4O2/c26-21-12-17(13-32-23(21)30)24(34)33-19-7-4-15(5-8-19)10-16-2-1-3-20(11-16)35-22-9-6-18(14-31-22)25(27,28)29/h1-3,6,9-14,19H,4-5,7-8H2,(H2,30,32)(H,33,34)/b15-10-.
What are the key properties of 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 502.92 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89463663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).