N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H19F3N2O2 — CID 155464319

IUPACN-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C/C=C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)\C(/C=C\C)=C(/C)C=C
InChIInChI=1S/C19H19F3N2O2/c1-5-8-13(12(4)7-3)15(9-6-2)23-17(25)14-10-11-16(19(20,21)22)24-18(14)26/h5-11H,2-3H2,1,4H3,(H,23,25)(H,24,26)/b8-5-,13-12+,15-9+
InChIKeyCZXQILZHPCRHFM-FKDPKXKPSA-N
MW364.37 g/mol
LogP4.27
Rot. Bonds6

About N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464319) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464319
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C/C=C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)\C(/C=C\C)=C(/C)C=C
InChIInChI=1S/C19H19F3N2O2/c1-5-8-13(12(4)7-3)15(9-6-2)23-17(25)14-10-11-16(19(20,21)22)24-18(14)26/h5-11H,2-3H2,1,4H3,(H,23,25)(H,24,26)/b8-5-,13-12+,15-9+
InChIKeyCZXQILZHPCRHFM-FKDPKXKPSA-N
XLogP4.27
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464319) is N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=C/C=C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)\C(/C=C\C)=C(/C)C=C.
What is the InChIKey of N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CZXQILZHPCRHFM-FKDPKXKPSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-5-8-13(12(4)7-3)15(9-6-2)23-17(25)14-10-11-16(19(20,21)22)24-18(14)26/h5-11H,2-3H2,1,4H3,(H,23,25)(H,24,26)/b8-5-,13-12+,15-9+.
What are the key properties of N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6-methyl-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraen-4-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).