N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C17H27F2N3O2 — CID 129032590

IUPACN'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCCOCC(C)Oc1nc(C)c(/N=C/N(C)CC)cc1C(F)F
InChIInChI=1S/C17H27F2N3O2/c1-6-8-23-10-12(3)24-17-14(16(18)19)9-15(13(4)21-17)20-11-22(5)7-2/h9,11-12,16H,6-8,10H2,1-5H3/b20-11+
InChIKeyWAXVTKJVQKYERL-RGVLZGJSSA-N
MW343.42 g/mol
LogP4.13
Rot. Bonds10

About N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 129032590) has the molecular formula C17H27F2N3O2 and a molecular weight of 343.42 g/mol. Its IUPAC name is N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID129032590
Molecular FormulaC17H27F2N3O2
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC NameN'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCCOCC(C)Oc1nc(C)c(/N=C/N(C)CC)cc1C(F)F
InChIInChI=1S/C17H27F2N3O2/c1-6-8-23-10-12(3)24-17-14(16(18)19)9-15(13(4)21-17)20-11-22(5)7-2/h9,11-12,16H,6-8,10H2,1-5H3/b20-11+
InChIKeyWAXVTKJVQKYERL-RGVLZGJSSA-N
XLogP4.13
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 129032590) is N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCCOCC(C)Oc1nc(C)c(/N=C/N(C)CC)cc1C(F)F.
What is the InChIKey of N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is WAXVTKJVQKYERL-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H27F2N3O2/c1-6-8-23-10-12(3)24-17-14(16(18)19)9-15(13(4)21-17)20-11-22(5)7-2/h9,11-12,16H,6-8,10H2,1-5H3/b20-11+.
What are the key properties of N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 343.42 g/mol, XLogP of 4.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(difluoromethyl)-2-methyl-6-(1-propoxypropan-2-yloxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 129032590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).