methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate

C30H28N2O4 — CID 169193829

IUPACmethyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate
SMILESCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1cc(=O)n(Cc2ccc(OC)cc2)cc1C
InChIInChI=1S/C30H28N2O4/c1-21-19-32(20-22-14-16-25(35-2)17-15-22)27(33)18-26(21)29(30(34)36-3)31-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,29H,20H2,1-3H3
InChIKeyJIFQLJZGLKRNRP-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.97
Rot. Bonds8

About methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate

methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate (PubChem CID 169193829) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate
PubChem CID169193829
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Namemethyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate
SMILESCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1cc(=O)n(Cc2ccc(OC)cc2)cc1C
InChIInChI=1S/C30H28N2O4/c1-21-19-32(20-22-14-16-25(35-2)17-15-22)27(33)18-26(21)29(30(34)36-3)31-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,29H,20H2,1-3H3
InChIKeyJIFQLJZGLKRNRP-UHFFFAOYSA-N
XLogP4.97
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502819
prop-2-enyl 2-(benzhydrylideneamino)-3-(4-methoxyphenyl)propanoate
CID 101401210
N-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382687
N-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382358
3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 42778189
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 54736914
6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339843
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
ethyl (2Z)-2-(6-chloro-2-methylpyrimidin-4-yl)imino-3-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylate
CID 177385927
N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697069
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
1-benzyl-5-[(5-methoxy-2-phenylphenyl)methyl]pyridin-2-one
CID 25156915

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate?
The IUPAC name of methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate (CID 169193829) is methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate is COC(=O)C(N=C(c1ccccc1)c1ccccc1)c1cc(=O)n(Cc2ccc(OC)cc2)cc1C.
What is the InChIKey of methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate?
The InChIKey is JIFQLJZGLKRNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-21-19-32(20-22-14-16-25(35-2)17-15-22)27(33)18-26(21)29(30(34)36-3)31-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-19,29H,20H2,1-3H3.
What are the key properties of methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate?
methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate has a molecular weight of 480.56 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate is sourced from PubChem (CID 169193829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).