methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate

C16H18N2O4 — CID 87212427

IUPACmethylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
SMILESCNOC(=O)c1c(OCc2ccccc2)c(=O)cc(C)n1C
InChIInChI=1S/C16H18N2O4/c1-11-9-13(19)15(14(18(11)3)16(20)22-17-2)21-10-12-7-5-4-6-8-12/h4-9,17H,10H2,1-3H3
InChIKeyYISCRPZHPLZSCZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.56
Rot. Bonds5

About methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate

methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 87212427) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
PubChem CID87212427
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namemethylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
SMILESCNOC(=O)c1c(OCc2ccccc2)c(=O)cc(C)n1C
InChIInChI=1S/C16H18N2O4/c1-11-9-13(19)15(14(18(11)3)16(20)22-17-2)21-10-12-7-5-4-6-8-12/h4-9,17H,10H2,1-3H3
InChIKeyYISCRPZHPLZSCZ-UHFFFAOYSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 66658948
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride
CID 158782849
2-[(methoxymethylamino)methyl]-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 134395764
2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 10913107
6-methyl-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 66941827
N-cyclohexyl-1-cyclopropyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 59708517
2-(hydroxymethyl)-6-methyl-1-(2-phenylethyl)-3-phenylmethoxypyridin-4-one
CID 156776484
2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 86725757
1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
CID 156776485
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571

Frequently Asked Questions

What is the IUPAC name of methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate (CID 87212427) is methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate is CNOC(=O)c1c(OCc2ccccc2)c(=O)cc(C)n1C.
What is the InChIKey of methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is YISCRPZHPLZSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-9-13(19)15(14(18(11)3)16(20)22-17-2)21-10-12-7-5-4-6-8-12/h4-9,17H,10H2,1-3H3.
What are the key properties of methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate?
methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 87212427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).