1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one

C17H25N3O2 — CID 89150787

IUPAC1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one
SMILESC=C/C=C\C=C/Nc1c(C)cc(=O)n(CCCN(C)C)c1O
InChIInChI=1S/C17H25N3O2/c1-5-6-7-8-10-18-16-14(2)13-15(21)20(17(16)22)12-9-11-19(3)4/h5-8,10,13,18,22H,1,9,11-12H2,2-4H3/b7-6-,10-8-
InChIKeyJOBKILMOTHEPNL-INZNQPOWSA-N
MW303.41 g/mol
LogP2.48
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one

1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one (PubChem CID 89150787) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one
PubChem CID89150787
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one
SMILESC=C/C=C\C=C/Nc1c(C)cc(=O)n(CCCN(C)C)c1O
InChIInChI=1S/C17H25N3O2/c1-5-6-7-8-10-18-16-14(2)13-15(21)20(17(16)22)12-9-11-19(3)4/h5-8,10,13,18,22H,1,9,11-12H2,2-4H3/b7-6-,10-8-
InChIKeyJOBKILMOTHEPNL-INZNQPOWSA-N
XLogP2.48
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one (CID 89150787) is 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one is C=C/C=C\C=C/Nc1c(C)cc(=O)n(CCCN(C)C)c1O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one?
The InChIKey is JOBKILMOTHEPNL-INZNQPOWSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-6-7-8-10-18-16-14(2)13-15(21)20(17(16)22)12-9-11-19(3)4/h5-8,10,13,18,22H,1,9,11-12H2,2-4H3/b7-6-,10-8-.
What are the key properties of 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one?
1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one has a molecular weight of 303.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]-6-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 89150787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).