5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C24H27F3N2O — CID 91074216

IUPAC5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC=CC=c1cc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)c(C)nc1=CCCC
InChIInChI=1S/C24H27F3N2O/c1-5-7-10-19-15-21(17(4)28-22(19)13-8-6-2)23(30)29-16(3)18-11-9-12-20(14-18)24(25,26)27/h5,7,9-16H,6,8H2,1-4H3,(H,29,30)
InChIKeyKXUAQPBNFUDVHX-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.84
Rot. Bonds6

About 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 91074216) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID91074216
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCC=CC=c1cc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)c(C)nc1=CCCC
InChIInChI=1S/C24H27F3N2O/c1-5-7-10-19-15-21(17(4)28-22(19)13-8-6-2)23(30)29-16(3)18-11-9-12-20(14-18)24(25,26)27/h5,7,9-16H,6,8H2,1-4H3,(H,29,30)
InChIKeyKXUAQPBNFUDVHX-UHFFFAOYSA-N
XLogP4.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 91074216) is 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is CC=CC=c1cc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)c(C)nc1=CCCC.
What is the InChIKey of 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is KXUAQPBNFUDVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O/c1-5-7-10-19-15-21(17(4)28-22(19)13-8-6-2)23(30)29-16(3)18-11-9-12-20(14-18)24(25,26)27/h5,7,9-16H,6,8H2,1-4H3,(H,29,30).
What are the key properties of 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-enylidene-6-butylidene-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 91074216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).