6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one

C16H18BrN3O2 — CID 9024568

IUPAC6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCCCOc1ccc(Br)cc1/C=N\n1c(N)cc(C)cc1=O
InChIInChI=1S/C16H18BrN3O2/c1-3-6-22-14-5-4-13(17)9-12(14)10-19-20-15(18)7-11(2)8-16(20)21/h4-5,7-10H,3,6,18H2,1-2H3/b19-10-
InChIKeyNDZGUCNGCONSSE-GRSHGNNSSA-N
MW364.24 g/mol
LogP3.17
Rot. Bonds5

About 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one

6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one (PubChem CID 9024568) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one
PubChem CID9024568
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one
SMILESCCCOc1ccc(Br)cc1/C=N\n1c(N)cc(C)cc1=O
InChIInChI=1S/C16H18BrN3O2/c1-3-6-22-14-5-4-13(17)9-12(14)10-19-20-15(18)7-11(2)8-16(20)21/h4-5,7-10H,3,6,18H2,1-2H3/b19-10-
InChIKeyNDZGUCNGCONSSE-GRSHGNNSSA-N
XLogP3.17
TPSA69.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
6-amino-4-methyl-1-[(Z)-(4-pentoxyphenyl)methylideneamino]pyridin-2-one
CID 9024577
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
6-amino-1-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771017
6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024322
6-amino-1-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024571
6-amino-1-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024414
6-amino-1-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024559
6-amino-1-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024562
ethyl N-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]carbamate
CID 9076112
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
3-(5-bromo-2-propoxyphenyl)prop-2-enal
CID 79330486

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one (CID 9024568) is 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one is CCCOc1ccc(Br)cc1/C=N\n1c(N)cc(C)cc1=O.
What is the InChIKey of 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
The InChIKey is NDZGUCNGCONSSE-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-3-6-22-14-5-4-13(17)9-12(14)10-19-20-15(18)7-11(2)8-16(20)21/h4-5,7-10H,3,6,18H2,1-2H3/b19-10-.
What are the key properties of 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one has a molecular weight of 364.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 9024568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).