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

C27H27F3N4O2 — CID 71544470

IUPAC6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)c(C)n4)c3)CC2)cnc1N
InChIInChI=1S/C27H27F3N4O2/c1-16-12-20(15-32-25(16)31)26(35)34-21-8-6-18(7-9-21)13-19-4-3-5-22(14-19)36-24-11-10-23(17(2)33-24)27(28,29)30/h3-5,10-15,21H,6-9H2,1-2H3,(H2,31,32)(H,34,35)/b18-13-
InChIKeyOGAKMOZEPHIDKO-AQTBWJFISA-N
MW496.53 g/mol
LogP6.24
Rot. Bonds5

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

6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 71544470) has the molecular formula C27H27F3N4O2 and a molecular weight of 496.53 g/mol. Its IUPAC name is 6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID71544470
Molecular FormulaC27H27F3N4O2
Molecular Weight496.53 g/mol
Exact Mass496.21
IUPAC Name6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)c(C)n4)c3)CC2)cnc1N
InChIInChI=1S/C27H27F3N4O2/c1-16-12-20(15-32-25(16)31)26(35)34-21-8-6-18(7-9-21)13-19-4-3-5-22(14-19)36-24-11-10-23(17(2)33-24)27(28,29)30/h3-5,10-15,21H,6-9H2,1-2H3,(H2,31,32)(H,34,35)/b18-13-
InChIKeyOGAKMOZEPHIDKO-AQTBWJFISA-N
XLogP6.24
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 71544470) is 6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is Cc1cc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)c(C)n4)c3)CC2)cnc1N.
What is the InChIKey of 6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is OGAKMOZEPHIDKO-AQTBWJFISA-N. The full InChI is InChI=1S/C27H27F3N4O2/c1-16-12-20(15-32-25(16)31)26(35)34-21-8-6-18(7-9-21)13-19-4-3-5-22(14-19)36-24-11-10-23(17(2)33-24)27(28,29)30/h3-5,10-15,21H,6-9H2,1-2H3,(H2,31,32)(H,34,35)/b18-13-.
What are the key properties of 6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 496.53 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-N-[4-[[3-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 71544470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).