6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one

C19H25N3O2 — CID 9024322

IUPAC6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCCCCCCOc1ccc(/C=N\n2c(N)cc(C)cc2=O)cc1
InChIInChI=1S/C19H25N3O2/c1-3-4-5-6-11-24-17-9-7-16(8-10-17)14-21-22-18(20)12-15(2)13-19(22)23/h7-10,12-14H,3-6,11,20H2,1-2H3/b21-14-
InChIKeyQBRJQOBRCBYDGQ-STZFKDTASA-N
MW327.43 g/mol
LogP3.58
Rot. Bonds8

About 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one

6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one (PubChem CID 9024322) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one
PubChem CID9024322
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCCCCCCOc1ccc(/C=N\n2c(N)cc(C)cc2=O)cc1
InChIInChI=1S/C19H25N3O2/c1-3-4-5-6-11-24-17-9-7-16(8-10-17)14-21-22-18(20)12-15(2)13-19(22)23/h7-10,12-14H,3-6,11,20H2,1-2H3/b21-14-
InChIKeyQBRJQOBRCBYDGQ-STZFKDTASA-N
XLogP3.58
TPSA69.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-amino-4-methyl-1-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridin-2-one
CID 9024577
6-amino-1-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024414
methyl 4-[[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]phenoxy]methyl]benzoate
CID 9024504
6-amino-1-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024571
4-[(Z)-(4-pentoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295347
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
methyl 4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]benzoate
CID 9024468
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 110338692
4-[(Z)-(4-butoxyphenyl)methylideneamino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one
CID 110507823
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
CID 9239429
(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 112537966

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one (CID 9024322) is 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one is CCCCCCOc1ccc(/C=N\n2c(N)cc(C)cc2=O)cc1.
What is the InChIKey of 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The InChIKey is QBRJQOBRCBYDGQ-STZFKDTASA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-4-5-6-11-24-17-9-7-16(8-10-17)14-21-22-18(20)12-15(2)13-19(22)23/h7-10,12-14H,3-6,11,20H2,1-2H3/b21-14-.
What are the key properties of 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one has a molecular weight of 327.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 9024322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).