N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide

C21H26F3N3O — CID 70790459

IUPACN-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCCCCC1)C1=CC=NCC1
InChIInChI=1S/C21H26F3N3O/c22-21(23,24)17-7-8-19(27-13-5-3-1-2-4-6-14-27)18(15-17)26-20(28)16-9-11-25-12-10-16/h7-9,11,15H,1-6,10,12-14H2,(H,26,28)
InChIKeyOXWMCHSKZRJAIG-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.21
Rot. Bonds3

About N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide

N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide (PubChem CID 70790459) has the molecular formula C21H26F3N3O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide
PubChem CID70790459
Molecular FormulaC21H26F3N3O
Molecular Weight393.45 g/mol
Exact Mass393.20
IUPAC NameN-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCCCCC1)C1=CC=NCC1
InChIInChI=1S/C21H26F3N3O/c22-21(23,24)17-7-8-19(27-13-5-3-1-2-4-6-14-27)18(15-17)26-20(28)16-9-11-25-12-10-16/h7-9,11,15H,1-6,10,12-14H2,(H,26,28)
InChIKeyOXWMCHSKZRJAIG-UHFFFAOYSA-N
XLogP5.21
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide?
The IUPAC name of N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide (CID 70790459) is N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide?
The canonical SMILES for N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCCCCC1)C1=CC=NCC1.
What is the InChIKey of N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide?
The InChIKey is OXWMCHSKZRJAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O/c22-21(23,24)17-7-8-19(27-13-5-3-1-2-4-6-14-27)18(15-17)26-20(28)16-9-11-25-12-10-16/h7-9,11,15H,1-6,10,12-14H2,(H,26,28).
What are the key properties of N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide?
N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azonan-1-yl)-5-(trifluoromethyl)phenyl]-2,3-dihydropyridine-4-carboxamide is sourced from PubChem (CID 70790459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).