N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide

C17H24N2O2 — CID 50957953

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)6-5-7-14(3)10-11-18-17(21)15-8-9-16(20)19(4)12-15/h6,8-10,12H,5,7,11H2,1-4H3,(H,18,21)/b14-10+
InChIKeyYQDPVOGUJUJIHQ-GXDHUFHOSA-N
MW288.39 g/mol
LogP2.81
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 50957953) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID50957953
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)6-5-7-14(3)10-11-18-17(21)15-8-9-16(20)19(4)12-15/h6,8-10,12H,5,7,11H2,1-4H3,(H,18,21)/b14-10+
InChIKeyYQDPVOGUJUJIHQ-GXDHUFHOSA-N
XLogP2.81
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
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-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 50957953) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide is CC(C)=CCC/C(C)=C/CNC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is YQDPVOGUJUJIHQ-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)6-5-7-14(3)10-11-18-17(21)15-8-9-16(20)19(4)12-15/h6,8-10,12H,5,7,11H2,1-4H3,(H,18,21)/b14-10+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 50957953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).