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

C10H15F3N2O — CID 115769487

IUPACN-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-2-5-14-9(16)15-6-3-8(4-7-15)10(11,12)13/h3H,2,4-7H2,1H3,(H,14,16)
InChIKeyFALFLSRSFYBAHG-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.30
Rot. Bonds2

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

N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 115769487) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID115769487
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC NameN-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCNC(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c1-2-5-14-9(16)15-6-3-8(4-7-15)10(11,12)13/h3H,2,4-7H2,1H3,(H,14,16)
InChIKeyFALFLSRSFYBAHG-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-[(3S)-3-fluorobutyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 164636759
1-[3-(ethylamino)propyl]-3-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trienyl]urea
CID 87856558
2-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162446301
2,2,2-trifluoro-N-(1-formyl-5-methyl-3,6-dihydro-2H-pyridin-6-yl)acetamide
CID 167149854
3-(2,2,2-Trifluoroethyl)-2,5-dihydropyrrole-1-carboxamide
CID 175709131
(3,3-difluoroazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 177162178
N-(2-methoxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71909134
N-cyclohexyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 75390292
N-ethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 97244760
5-methyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313532
N-butyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113338698
N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113338797

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 115769487) is N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCCNC(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is FALFLSRSFYBAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-2-5-14-9(16)15-6-3-8(4-7-15)10(11,12)13/h3H,2,4-7H2,1H3,(H,14,16).
What are the key properties of N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 236.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 115769487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).