N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C22H24F3N3O — CID 11407011

IUPACN-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C22H24F3N3O/c1-21(2,3)16-6-8-17(9-7-16)27-20(29)15-10-13-28(14-11-15)19-18(22(23,24)25)5-4-12-26-19/h4-10,12H,11,13-14H2,1-3H3,(H,27,29)
InChIKeyZKVHJFLFVGNDON-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.17
Rot. Bonds3

About N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide

N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11407011) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11407011
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C22H24F3N3O/c1-21(2,3)16-6-8-17(9-7-16)27-20(29)15-10-13-28(14-11-15)19-18(22(23,24)25)5-4-12-26-19/h4-10,12H,11,13-14H2,1-3H3,(H,27,29)
InChIKeyZKVHJFLFVGNDON-UHFFFAOYSA-N
XLogP5.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11407011) is N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is ZKVHJFLFVGNDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-21(2,3)16-6-8-17(9-7-16)27-20(29)15-10-13-28(14-11-15)19-18(22(23,24)25)5-4-12-26-19/h4-10,12H,11,13-14H2,1-3H3,(H,27,29).
What are the key properties of N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11407011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).