methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate

C15H15ClN2O4 — CID 57290073

IUPACmethyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate
SMILESCOC(=O)c1c(C)n(-c2ccc(OC)c(N)c2)cc(Cl)c1=O
InChIInChI=1S/C15H15ClN2O4/c1-8-13(15(20)22-3)14(19)10(16)7-18(8)9-4-5-12(21-2)11(17)6-9/h4-7H,17H2,1-3H3
InChIKeyOUCWHEFIXCIBEC-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.18
Rot. Bonds3

About methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate

methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate (PubChem CID 57290073) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate
PubChem CID57290073
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Namemethyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate
SMILESCOC(=O)c1c(C)n(-c2ccc(OC)c(N)c2)cc(Cl)c1=O
InChIInChI=1S/C15H15ClN2O4/c1-8-13(15(20)22-3)14(19)10(16)7-18(8)9-4-5-12(21-2)11(17)6-9/h4-7H,17H2,1-3H3
InChIKeyOUCWHEFIXCIBEC-UHFFFAOYSA-N
XLogP2.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate (CID 57290073) is methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate is COC(=O)c1c(C)n(-c2ccc(OC)c(N)c2)cc(Cl)c1=O.
What is the InChIKey of methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate?
The InChIKey is OUCWHEFIXCIBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-8-13(15(20)22-3)14(19)10(16)7-18(8)9-4-5-12(21-2)11(17)6-9/h4-7H,17H2,1-3H3.
What are the key properties of methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate?
methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate has a molecular weight of 322.75 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-amino-4-methoxyphenyl)-5-chloro-2-methyl-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 57290073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).