6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one

C21H20ClN3O3 — CID 23376474

IUPAC6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
SMILESCOc1cc(C=Nn2c(N)cc(C)cc2=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3/c1-14-9-20(23)25(21(26)10-14)24-12-16-5-8-18(19(11-16)27-2)28-13-15-3-6-17(22)7-4-15/h3-12H,13,23H2,1-2H3
InChIKeyDLPREWUNSIQZRE-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.86
Rot. Bonds6

About 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one

6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one (PubChem CID 23376474) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one.

Molecular Properties

Compound Name6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
PubChem CID23376474
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
SMILESCOc1cc(C=Nn2c(N)cc(C)cc2=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3/c1-14-9-20(23)25(21(26)10-14)24-12-16-5-8-18(19(11-16)27-2)28-13-15-3-6-17(22)7-4-15/h3-12H,13,23H2,1-2H3
InChIKeyDLPREWUNSIQZRE-UHFFFAOYSA-N
XLogP3.86
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376481
6-amino-1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylideneamino]-4-methylpyridin-2-one
CID 23376504
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
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145
methyl 4-[[4-[(Z)-(2-amino-4-methyl-6-oxo-1-pyridinyl)iminomethyl]phenoxy]methyl]benzoate
CID 9024504
(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[3-[(4-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]methanimine
CID 6892190
6-amino-4-methyl-1-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-one
CID 9024377
2-amino-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazol-4-one
CID 3110390
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6248419
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine
CID 23738779

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one?
The IUPAC name of 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one (CID 23376474) is 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one.
What is the SMILES notation for 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one?
The canonical SMILES for 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one is COc1cc(C=Nn2c(N)cc(C)cc2=O)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one?
The InChIKey is DLPREWUNSIQZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-9-20(23)25(21(26)10-14)24-12-16-5-8-18(19(11-16)27-2)28-13-15-3-6-17(22)7-4-15/h3-12H,13,23H2,1-2H3.
What are the key properties of 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one?
6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one has a molecular weight of 397.86 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylpyridin-2-one is sourced from PubChem (CID 23376474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).