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

C25H22ClF3N4O2 — CID 71506880

IUPAC5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESNc1cc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cnc1Cl
InChIInChI=1S/C25H22ClF3N4O2/c26-23-21(30)12-17(13-32-23)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,4-5,7-8,30H2,(H,33,34)/b15-10-
InChIKeyFNJJWJQHPNVSFJ-GDNBJRDFSA-N
MW502.92 g/mol
LogP6.28
Rot. Bonds5

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

5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 71506880) has the molecular formula C25H22ClF3N4O2 and a molecular weight of 502.92 g/mol. Its IUPAC name is 5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID71506880
Molecular FormulaC25H22ClF3N4O2
Molecular Weight502.92 g/mol
Exact Mass502.14
IUPAC Name5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESNc1cc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cnc1Cl
InChIInChI=1S/C25H22ClF3N4O2/c26-23-21(30)12-17(13-32-23)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,4-5,7-8,30H2,(H,33,34)/b15-10-
InChIKeyFNJJWJQHPNVSFJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 71506880) is 5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is Nc1cc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cnc1Cl.
What is the InChIKey of 5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is FNJJWJQHPNVSFJ-GDNBJRDFSA-N. The full InChI is InChI=1S/C25H22ClF3N4O2/c26-23-21(30)12-17(13-32-23)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,4-5,7-8,30H2,(H,33,34)/b15-10-.
What are the key properties of 5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
5-amino-6-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 5-amino-6-chloro-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 71506880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).