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6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane

C24H29F6N3O2 — CID 142877788

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane
SMILESCC.CCc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ncc1C(=O)NCC1CCOCC1
InChIInChI=1S/C22H23F6N3O2.C2H6/c1-2-14-7-19(29-12-18(14)20(32)30-11-13-3-5-33-6-4-13)31-17-9-15(21(23,24)25)8-16(10-17)22(26,27)28;1-2/h7-10,12-13H,2-6,11H2,1H3,(H,29,31)(H,30,32);1-2H3
InChIKeyUWNGDGZJUHVHAO-UHFFFAOYSA-N
MW505.50 g/mol
LogP6.61
Rot. Bonds6

About 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane

6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane (PubChem CID 142877788) has the molecular formula C24H29F6N3O2 and a molecular weight of 505.50 g/mol. Its IUPAC name is 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane
PubChem CID142877788
Molecular FormulaC24H29F6N3O2
Molecular Weight505.50 g/mol
Exact Mass505.22
IUPAC Name6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane
SMILESCC.CCc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ncc1C(=O)NCC1CCOCC1
InChIInChI=1S/C22H23F6N3O2.C2H6/c1-2-14-7-19(29-12-18(14)20(32)30-11-13-3-5-33-6-4-13)31-17-9-15(21(23,24)25)8-16(10-17)22(26,27)28;1-2/h7-10,12-13H,2-6,11H2,1H3,(H,29,31)(H,30,32);1-2H3
InChIKeyUWNGDGZJUHVHAO-UHFFFAOYSA-N
XLogP6.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.50
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane?
The IUPAC name of 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane (CID 142877788) is 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane.
What is the SMILES notation for 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane?
The canonical SMILES for 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane is CC.CCc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ncc1C(=O)NCC1CCOCC1.
What is the InChIKey of 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane?
The InChIKey is UWNGDGZJUHVHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6N3O2.C2H6/c1-2-14-7-19(29-12-18(14)20(32)30-11-13-3-5-33-6-4-13)31-17-9-15(21(23,24)25)8-16(10-17)22(26,27)28;1-2/h7-10,12-13H,2-6,11H2,1H3,(H,29,31)(H,30,32);1-2H3.
What are the key properties of 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane?
6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane has a molecular weight of 505.50 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(trifluoromethyl)anilino]-4-ethyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 142877788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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