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

C11H17F3N2O — CID 113338698

IUPACN-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-2-3-6-15-10(17)16-7-4-9(5-8-16)11(12,13)14/h4H,2-3,5-8H2,1H3,(H,15,17)
InChIKeyUWKJZOIPZJPWJP-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.69
Rot. Bonds3

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

N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 113338698) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID113338698
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-2-3-6-15-10(17)16-7-4-9(5-8-16)11(12,13)14/h4H,2-3,5-8H2,1H3,(H,15,17)
InChIKeyUWKJZOIPZJPWJP-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 113338698) is N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCCCNC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is UWKJZOIPZJPWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-3-6-15-10(17)16-7-4-9(5-8-16)11(12,13)14/h4H,2-3,5-8H2,1H3,(H,15,17).
What are the key properties of N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 113338698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).