4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide

C17H22N2O3 — CID 163580636

IUPAC4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide
SMILESC/C=C(C)\C=C/C(=C/C)NC(=O)c1c(O)cc(C)n(C)c1=O
InChIInChI=1S/C17H22N2O3/c1-6-11(3)8-9-13(7-2)18-16(21)15-14(20)10-12(4)19(5)17(15)22/h6-10,20H,1-5H3,(H,18,21)/b9-8-,11-6-,13-7-
InChIKeyGHGJOIPRBHOZKW-MUAITKOASA-N
MW302.37 g/mol
LogP2.56
Rot. Bonds4

About 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide

4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide (PubChem CID 163580636) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide
PubChem CID163580636
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide
SMILESC/C=C(C)\C=C/C(=C/C)NC(=O)c1c(O)cc(C)n(C)c1=O
InChIInChI=1S/C17H22N2O3/c1-6-11(3)8-9-13(7-2)18-16(21)15-14(20)10-12(4)19(5)17(15)22/h6-10,20H,1-5H3,(H,18,21)/b9-8-,11-6-,13-7-
InChIKeyGHGJOIPRBHOZKW-MUAITKOASA-N
XLogP2.56
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide (CID 163580636) is 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide is C/C=C(C)\C=C/C(=C/C)NC(=O)c1c(O)cc(C)n(C)c1=O.
What is the InChIKey of 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is GHGJOIPRBHOZKW-MUAITKOASA-N. The full InChI is InChI=1S/C17H22N2O3/c1-6-11(3)8-9-13(7-2)18-16(21)15-14(20)10-12(4)19(5)17(15)22/h6-10,20H,1-5H3,(H,18,21)/b9-8-,11-6-,13-7-.
What are the key properties of 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide?
4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,6-dimethyl-N-[(2Z,4Z,6Z)-6-methylocta-2,4,6-trien-3-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 163580636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).