N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide

C16H22N2O2 — CID 91837396

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H22N2O2/c1-12(2)6-4-7-13(3)10-11-17-16(20)14-8-5-9-15(19)18-14/h5-6,8-10H,4,7,11H2,1-3H3,(H,17,20)(H,18,19)/b13-10+
InChIKeySEFNTGZNCJFXJC-JLHYYAGUSA-N
MW274.36 g/mol
LogP2.80
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 91837396) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID91837396
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C16H22N2O2/c1-12(2)6-4-7-13(3)10-11-17-16(20)14-8-5-9-15(19)18-14/h5-6,8-10H,4,7,11H2,1-3H3,(H,17,20)(H,18,19)/b13-10+
InChIKeySEFNTGZNCJFXJC-JLHYYAGUSA-N
XLogP2.80
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide (CID 91837396) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide is CC(C)=CCC/C(C)=C/CNC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is SEFNTGZNCJFXJC-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)6-4-7-13(3)10-11-17-16(20)14-8-5-9-15(19)18-14/h5-6,8-10H,4,7,11H2,1-3H3,(H,17,20)(H,18,19)/b13-10+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 91837396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).