5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide

C17H27F2N3O2 — CID 175160459

IUPAC5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide
SMILES[H]/N=C(/c1cc(C(F)F)c(OC(C)COCCC)nc1C)N(C)CC
InChIInChI=1S/C17H27F2N3O2/c1-6-8-23-10-11(3)24-17-14(15(18)19)9-13(12(4)21-17)16(20)22(5)7-2/h9,11,15,20H,6-8,10H2,1-5H3/b20-16-
InChIKeyAMRYAWIPWFZWKM-SILNSSARSA-N
MW343.42 g/mol
LogP3.80
Rot. Bonds9

About 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide

5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide (PubChem CID 175160459) has the molecular formula C17H27F2N3O2 and a molecular weight of 343.42 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide
PubChem CID175160459
Molecular FormulaC17H27F2N3O2
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Name5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide
SMILES[H]/N=C(/c1cc(C(F)F)c(OC(C)COCCC)nc1C)N(C)CC
InChIInChI=1S/C17H27F2N3O2/c1-6-8-23-10-11(3)24-17-14(15(18)19)9-13(12(4)21-17)16(20)22(5)7-2/h9,11,15,20H,6-8,10H2,1-5H3/b20-16-
InChIKeyAMRYAWIPWFZWKM-SILNSSARSA-N
XLogP3.80
TPSA58.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
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 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide?
The IUPAC name of 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide (CID 175160459) is 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide.
What is the SMILES notation for 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide?
The canonical SMILES for 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide is [H]/N=C(/c1cc(C(F)F)c(OC(C)COCCC)nc1C)N(C)CC.
What is the InChIKey of 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide?
The InChIKey is AMRYAWIPWFZWKM-SILNSSARSA-N. The full InChI is InChI=1S/C17H27F2N3O2/c1-6-8-23-10-11(3)24-17-14(15(18)19)9-13(12(4)21-17)16(20)22(5)7-2/h9,11,15,20H,6-8,10H2,1-5H3/b20-16-.
What are the key properties of 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide?
5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide has a molecular weight of 343.42 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-ethyl-N,2-dimethyl-6-(1-propoxypropan-2-yloxy)pyridine-3-carboximidamide is sourced from PubChem (CID 175160459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).