6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide

C8H10F3N3O2 — CID 140518375

IUPAC6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide
SMILESNC(=O)C1=C(C(F)(F)F)N(C(N)=O)CCC1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-4(6(12)15)2-1-3-14(5)7(13)16/h1-3H2,(H2,12,15)(H2,13,16)
InChIKeySBPIOKRHOSBFHG-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.46
Rot. Bonds1

About 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide

6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide (PubChem CID 140518375) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide.

Molecular Properties

Compound Name6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide
PubChem CID140518375
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide
SMILESNC(=O)C1=C(C(F)(F)F)N(C(N)=O)CCC1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)5-4(6(12)15)2-1-3-14(5)7(13)16/h1-3H2,(H2,12,15)(H2,13,16)
InChIKeySBPIOKRHOSBFHG-UHFFFAOYSA-N
XLogP0.46
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide?
The IUPAC name of 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide (CID 140518375) is 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide.
What is the SMILES notation for 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide?
The canonical SMILES for 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide is NC(=O)C1=C(C(F)(F)F)N(C(N)=O)CCC1.
What is the InChIKey of 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide?
The InChIKey is SBPIOKRHOSBFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)5-4(6(12)15)2-1-3-14(5)7(13)16/h1-3H2,(H2,12,15)(H2,13,16).
What are the key properties of 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide?
6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide has a molecular weight of 237.18 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,5-dicarboxamide is sourced from PubChem (CID 140518375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).