N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide

C21H24F3N3O2 — CID 143375390

IUPACN-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESO=C(CCN1CC=C(CC2C=CC(C(F)(F)F)=CC2)CC1)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)17-3-1-15(2-4-17)13-16-7-10-27(11-8-16)12-9-20(29)26-18-5-6-19(28)25-14-18/h1,3-7,14-15H,2,8-13H2,(H,25,28)(H,26,29)
InChIKeyAHYVBTKSNJOGDE-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.79
Rot. Bonds6

About N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide

N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 143375390) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID143375390
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESO=C(CCN1CC=C(CC2C=CC(C(F)(F)F)=CC2)CC1)Nc1ccc(=O)[nH]c1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)17-3-1-15(2-4-17)13-16-7-10-27(11-8-16)12-9-20(29)26-18-5-6-19(28)25-14-18/h1,3-7,14-15H,2,8-13H2,(H,25,28)(H,26,29)
InChIKeyAHYVBTKSNJOGDE-UHFFFAOYSA-N
XLogP3.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 143375390) is N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide is O=C(CCN1CC=C(CC2C=CC(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)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is AHYVBTKSNJOGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c22-21(23,24)17-3-1-15(2-4-17)13-16-7-10-27(11-8-16)12-9-20(29)26-18-5-6-19(28)25-14-18/h1,3-7,14-15H,2,8-13H2,(H,25,28)(H,26,29).
What are the key properties of N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 407.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridin-3-yl)-3-[4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 143375390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).