dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate

C18H17N3O6 — CID 108524495

IUPACdimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)Nc2cc(C)ccn2)c1
InChIInChI=1S/C18H17N3O6/c1-10-6-7-19-14(8-10)21-16(23)15(22)20-13-9-11(17(24)26-2)4-5-12(13)18(25)27-3/h4-9H,1-3H3,(H,20,22)(H,19,21,23)
InChIKeySXCWCOWXQWLKAZ-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.54
Rot. Bonds4

About dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate (PubChem CID 108524495) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
PubChem CID108524495
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Namedimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)Nc2cc(C)ccn2)c1
InChIInChI=1S/C18H17N3O6/c1-10-6-7-19-14(8-10)21-16(23)15(22)20-13-9-11(17(24)26-2)4-5-12(13)18(25)27-3/h4-9H,1-3H3,(H,20,22)(H,19,21,23)
InChIKeySXCWCOWXQWLKAZ-UHFFFAOYSA-N
XLogP1.54
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

N-(2-methoxyphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000000
N-(2-methylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000004
dimethyl 2-[[2-oxo-2-(pyridin-4-ylmethylamino)acetyl]amino]benzene-1,4-dicarboxylate
CID 108518223
dimethyl 2-[[2-[4-(dimethylamino)anilino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108524421
N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108529456
N-(4-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530485
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
N-(2,4-dichlorophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108502942
N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108520500
dimethyl 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]acetyl]amino]benzene-1,4-dicarboxylate
CID 108501394
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate (CID 108524495) is dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(=O)Nc2cc(C)ccn2)c1.
What is the InChIKey of dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is SXCWCOWXQWLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-10-6-7-19-14(8-10)21-16(23)15(22)20-13-9-11(17(24)26-2)4-5-12(13)18(25)27-3/h4-9H,1-3H3,(H,20,22)(H,19,21,23).
What are the key properties of dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 371.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-[(4-methyl-2-pyridinyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 108524495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).