6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one

C19H19N3O3S — CID 23376504

IUPAC6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one
SMILESCOc1cc(C=Nn2c(N)cc(C)cc2=O)ccc1OCc1cccs1
InChIInChI=1S/C19H19N3O3S/c1-13-8-18(20)22(19(23)9-13)21-11-14-5-6-16(17(10-14)24-2)25-12-15-4-3-7-26-15/h3-11H,12,20H2,1-2H3
InChIKeyNKKFMDUAACDURM-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.27
Rot. Bonds6

About 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one

6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one (PubChem CID 23376504) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one
PubChem CID23376504
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one
SMILESCOc1cc(C=Nn2c(N)cc(C)cc2=O)ccc1OCc1cccs1
InChIInChI=1S/C19H19N3O3S/c1-13-8-18(20)22(19(23)9-13)21-11-14-5-6-16(17(10-14)24-2)25-12-15-4-3-7-26-15/h3-11H,12,20H2,1-2H3
InChIKeyNKKFMDUAACDURM-UHFFFAOYSA-N
XLogP3.27
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376474
6-amino-1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376481
6-amino-1-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024571
6-amino-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376478
[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]-2-methoxyphenyl] furan-2-carboxylate
CID 9024509
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
6-amino-1-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 135771045
6-amino-4-methyl-1-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024403
6-amino-1-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024414
6-amino-1-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024562
6-amino-1-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024279
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one (CID 23376504) is 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one is COc1cc(C=Nn2c(N)cc(C)cc2=O)ccc1OCc1cccs1.
What is the InChIKey of 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one?
The InChIKey is NKKFMDUAACDURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-8-18(20)22(19(23)9-13)21-11-14-5-6-16(17(10-14)24-2)25-12-15-4-3-7-26-15/h3-11H,12,20H2,1-2H3.
What are the key properties of 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one has a molecular weight of 369.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 23376504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).