N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide

C21H21F3N2O2 — CID 25016679

IUPACN-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide
SMILESO=C(CCC1CC=C(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)17-8-6-16(7-9-17)15-4-1-14(2-5-15)3-11-20(28)26-18-10-12-19(27)25-13-18/h4,6-10,12-14H,1-3,5,11H2,(H,25,27)(H,26,28)
InChIKeyHRYBUHGGWUJKFE-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.00
Rot. Bonds5

About N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide

N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide (PubChem CID 25016679) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide
PubChem CID25016679
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide
SMILESO=C(CCC1CC=C(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C21H21F3N2O2/c22-21(23,24)17-8-6-16(7-9-17)15-4-1-14(2-5-15)3-11-20(28)26-18-10-12-19(27)25-13-18/h4,6-10,12-14H,1-3,5,11H2,(H,25,27)(H,26,28)
InChIKeyHRYBUHGGWUJKFE-UHFFFAOYSA-N
XLogP5.00
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide?
The IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide (CID 25016679) is N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide.
What is the SMILES notation for N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide?
The canonical SMILES for N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide is O=C(CCC1CC=C(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(=O)[nH]c1.
What is the InChIKey of N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide?
The InChIKey is HRYBUHGGWUJKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c22-21(23,24)17-8-6-16(7-9-17)15-4-1-14(2-5-15)3-11-20(28)26-18-10-12-19(27)25-13-18/h4,6-10,12-14H,1-3,5,11H2,(H,25,27)(H,26,28).
What are the key properties of N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide?
N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide has a molecular weight of 390.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridin-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]propanamide is sourced from PubChem (CID 25016679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).