N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C18H16F3N3O2 — CID 155464260

IUPACN-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCc1cc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc(CC=C)n1
InChIInChI=1S/C18H16F3N3O2/c1-3-5-11-9-13(10-12(22-11)6-4-2)23-16(25)14-7-8-15(18(19,20)21)24-17(14)26/h3-4,7-10H,1-2,5-6H2,(H,24,26)(H,22,23,25)
InChIKeyKUHACYRUMNLGNP-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.50
Rot. Bonds6

About N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464260) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464260
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCc1cc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc(CC=C)n1
InChIInChI=1S/C18H16F3N3O2/c1-3-5-11-9-13(10-12(22-11)6-4-2)23-16(25)14-7-8-15(18(19,20)21)24-17(14)26/h3-4,7-10H,1-2,5-6H2,(H,24,26)(H,22,23,25)
InChIKeyKUHACYRUMNLGNP-UHFFFAOYSA-N
XLogP3.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.50
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-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464260) is N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=CCc1cc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc(CC=C)n1.
What is the InChIKey of N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KUHACYRUMNLGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-3-5-11-9-13(10-12(22-11)6-4-2)23-16(25)14-7-8-15(18(19,20)21)24-17(14)26/h3-4,7-10H,1-2,5-6H2,(H,24,26)(H,22,23,25).
What are the key properties of N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(prop-2-enyl)-4-pyridinyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).