methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate

C16H16N2O3 — CID 165394428

IUPACmethyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate
SMILESC=C(c1ccccc1)c1cc(=O)n(C)c(N)c1C(=O)OC
InChIInChI=1S/C16H16N2O3/c1-10(11-7-5-4-6-8-11)12-9-13(19)18(2)15(17)14(12)16(20)21-3/h4-9H,1,17H2,2-3H3
InChIKeyOMWPOEWELBAKBJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.82
Rot. Bonds3

About methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate

methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate (PubChem CID 165394428) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate
PubChem CID165394428
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate
SMILESC=C(c1ccccc1)c1cc(=O)n(C)c(N)c1C(=O)OC
InChIInChI=1S/C16H16N2O3/c1-10(11-7-5-4-6-8-11)12-9-13(19)18(2)15(17)14(12)16(20)21-3/h4-9H,1,17H2,2-3H3
InChIKeyOMWPOEWELBAKBJ-UHFFFAOYSA-N
XLogP1.82
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate (CID 165394428) is methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate is C=C(c1ccccc1)c1cc(=O)n(C)c(N)c1C(=O)OC.
What is the InChIKey of methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate?
The InChIKey is OMWPOEWELBAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10(11-7-5-4-6-8-11)12-9-13(19)18(2)15(17)14(12)16(20)21-3/h4-9H,1,17H2,2-3H3.
What are the key properties of methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate?
methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate is sourced from PubChem (CID 165394428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).