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

C28H29F3N4O2 — CID 89463906

IUPAC6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCCN(C)c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1
InChIInChI=1S/C28H29F3N4O2/c1-3-35(2)25-13-9-21(17-32-25)27(36)34-23-11-7-19(8-12-23)15-20-5-4-6-24(16-20)37-26-14-10-22(18-33-26)28(29,30)31/h4-6,9-10,13-18,23H,3,7-8,11-12H2,1-2H3,(H,34,36)/b19-15-
InChIKeyPNBYATCVRLAXNJ-CYVLTUHYSA-N
MW510.56 g/mol
LogP6.50
Rot. Bonds7

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

6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89463906) has the molecular formula C28H29F3N4O2 and a molecular weight of 510.56 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID89463906
Molecular FormulaC28H29F3N4O2
Molecular Weight510.56 g/mol
Exact Mass510.22
IUPAC Name6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCCN(C)c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1
InChIInChI=1S/C28H29F3N4O2/c1-3-35(2)25-13-9-21(17-32-25)27(36)34-23-11-7-19(8-12-23)15-20-5-4-6-24(16-20)37-26-14-10-22(18-33-26)28(29,30)31/h4-6,9-10,13-18,23H,3,7-8,11-12H2,1-2H3,(H,34,36)/b19-15-
InChIKeyPNBYATCVRLAXNJ-CYVLTUHYSA-N
XLogP6.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.56
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 89463906) is 6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is CCN(C)c1ccc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1.
What is the InChIKey of 6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is PNBYATCVRLAXNJ-CYVLTUHYSA-N. The full InChI is InChI=1S/C28H29F3N4O2/c1-3-35(2)25-13-9-21(17-32-25)27(36)34-23-11-7-19(8-12-23)15-20-5-4-6-24(16-20)37-26-14-10-22(18-33-26)28(29,30)31/h4-6,9-10,13-18,23H,3,7-8,11-12H2,1-2H3,(H,34,36)/b19-15-.
What are the key properties of 6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 510.56 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89463906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).