6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide

C18H16F3N3O3S — CID 44629393

IUPAC6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C2=CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H16F3N3O3S/c19-18(20,21)13-3-1-4-14(11-13)28(26,27)24-9-7-12(8-10-24)15-5-2-6-16(23-15)17(22)25/h1-7,11H,8-10H2,(H2,22,25)
InChIKeyVVXDBLNNLGHHMT-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.68
Rot. Bonds4

About 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide

6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (PubChem CID 44629393) has the molecular formula C18H16F3N3O3S and a molecular weight of 411.41 g/mol. Its IUPAC name is 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
PubChem CID44629393
Molecular FormulaC18H16F3N3O3S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC Name6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C2=CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H16F3N3O3S/c19-18(20,21)13-3-1-4-14(11-13)28(26,27)24-9-7-12(8-10-24)15-5-2-6-16(23-15)17(22)25/h1-7,11H,8-10H2,(H2,22,25)
InChIKeyVVXDBLNNLGHHMT-UHFFFAOYSA-N
XLogP2.68
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (CID 44629393) is 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is NC(=O)c1cccc(C2=CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The InChIKey is VVXDBLNNLGHHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3S/c19-18(20,21)13-3-1-4-14(11-13)28(26,27)24-9-7-12(8-10-24)15-5-2-6-16(23-15)17(22)25/h1-7,11H,8-10H2,(H2,22,25).
What are the key properties of 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 44629393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).