N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide

C7H7F3N2O — CID 90456311

IUPACN-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide
SMILESO=C(NC(F)(F)F)C1=CNCC=C1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)12-6(13)5-2-1-3-11-4-5/h1-2,4,11H,3H2,(H,12,13)
InChIKeyOKDHYJWDQHFASL-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.67
Rot. Bonds1

About N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide

N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide (PubChem CID 90456311) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide
PubChem CID90456311
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC NameN-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide
SMILESO=C(NC(F)(F)F)C1=CNCC=C1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)12-6(13)5-2-1-3-11-4-5/h1-2,4,11H,3H2,(H,12,13)
InChIKeyOKDHYJWDQHFASL-UHFFFAOYSA-N
XLogP0.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide?
The IUPAC name of N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide (CID 90456311) is N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide?
The canonical SMILES for N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide is O=C(NC(F)(F)F)C1=CNCC=C1.
What is the InChIKey of N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide?
The InChIKey is OKDHYJWDQHFASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)12-6(13)5-2-1-3-11-4-5/h1-2,4,11H,3H2,(H,12,13).
What are the key properties of N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide?
N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide has a molecular weight of 192.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-1,2-dihydropyridine-5-carboxamide is sourced from PubChem (CID 90456311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).