N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol

C36H50F4N8O5 — CID 158992497

IUPACN'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol
SMILESCCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C.CCN(C)/C=N/c1cc(C#N)c(OC2CCC(OC(F)F)CC2)nc1C.OC1CCC(OC(F)F)CC1
InChIInChI=1S/C18H24F2N4O2.C11H14N4O.C7H12F2O2/c1-4-24(3)11-22-16-9-13(10-21)17(23-12(16)2)25-14-5-7-15(8-6-14)26-18(19)20;1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2;8-7(9)11-6-3-1-5(10)2-4-6/h9,11,14-15,18H,4-8H2,1-3H3;5,7H,4H2,1-3H3,(H,14,16);5-7,10H,1-4H2/b22-11+;13-7+;
InChIKeyJQIITFHESCRKHZ-BLRXJELUSA-N
MW750.84 g/mol
LogP6.50
Rot. Bonds12

About N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol

N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol (PubChem CID 158992497) has the molecular formula C36H50F4N8O5 and a molecular weight of 750.84 g/mol. Its IUPAC name is N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol.

Molecular Properties

Compound NameN'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol
PubChem CID158992497
Molecular FormulaC36H50F4N8O5
Molecular Weight750.84 g/mol
Exact Mass750.38
IUPAC NameN'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol
SMILESCCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C.CCN(C)/C=N/c1cc(C#N)c(OC2CCC(OC(F)F)CC2)nc1C.OC1CCC(OC(F)F)CC1
InChIInChI=1S/C18H24F2N4O2.C11H14N4O.C7H12F2O2/c1-4-24(3)11-22-16-9-13(10-21)17(23-12(16)2)25-14-5-7-15(8-6-14)26-18(19)20;1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2;8-7(9)11-6-3-1-5(10)2-4-6/h9,11,14-15,18H,4-8H2,1-3H3;5,7H,4H2,1-3H3,(H,14,16);5-7,10H,1-4H2/b22-11+;13-7+;
InChIKeyJQIITFHESCRKHZ-BLRXJELUSA-N
XLogP6.50
TPSA172.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.84
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol?
The IUPAC name of N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol (CID 158992497) is N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol.
What is the SMILES notation for N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol?
The canonical SMILES for N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol is CCN(C)/C=N/c1cc(C#N)c(=O)[nH]c1C.CCN(C)/C=N/c1cc(C#N)c(OC2CCC(OC(F)F)CC2)nc1C.OC1CCC(OC(F)F)CC1.
What is the InChIKey of N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol?
The InChIKey is JQIITFHESCRKHZ-BLRXJELUSA-N. The full InChI is InChI=1S/C18H24F2N4O2.C11H14N4O.C7H12F2O2/c1-4-24(3)11-22-16-9-13(10-21)17(23-12(16)2)25-14-5-7-15(8-6-14)26-18(19)20;1-4-15(3)7-13-10-5-9(6-12)11(16)14-8(10)2;8-7(9)11-6-3-1-5(10)2-4-6/h9,11,14-15,18H,4-8H2,1-3H3;5,7H,4H2,1-3H3,(H,14,16);5-7,10H,1-4H2/b22-11+;13-7+;.
What are the key properties of N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol?
N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol has a molecular weight of 750.84 g/mol, XLogP of 6.50, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyano-6-[4-(difluoromethoxy)cyclohexyl]oxy-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide;N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide;4-(difluoromethoxy)cyclohexan-1-ol is sourced from PubChem (CID 158992497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).