N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C10H15F3N2O2 — CID 71909134

IUPACN-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O2/c1-17-7-4-14-9(16)15-5-2-8(3-6-15)10(11,12)13/h2H,3-7H2,1H3,(H,14,16)
InChIKeyDHZDIRMHXHTYGM-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.54
Rot. Bonds3

About N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71909134) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID71909134
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC NameN-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOCCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O2/c1-17-7-4-14-9(16)15-5-2-8(3-6-15)10(11,12)13/h2H,3-7H2,1H3,(H,14,16)
InChIKeyDHZDIRMHXHTYGM-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71909134) is N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is COCCNC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is DHZDIRMHXHTYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-17-7-4-14-9(16)15-5-2-8(3-6-15)10(11,12)13/h2H,3-7H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 252.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71909134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).