dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate

C13H14N2O7 — CID 139320839

IUPACdimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate
SMILESCOC(=O)CNC(=O)c1cc(C(=O)OC)nc(C(=O)OC)c1
InChIInChI=1S/C13H14N2O7/c1-20-10(16)6-14-11(17)7-4-8(12(18)21-2)15-9(5-7)13(19)22-3/h4-5H,6H2,1-3H3,(H,14,17)
InChIKeyRGNGRJKDZZYTNF-UHFFFAOYSA-N
MW310.26 g/mol
LogP-0.44
Rot. Bonds5

About dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate

dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate (PubChem CID 139320839) has the molecular formula C13H14N2O7 and a molecular weight of 310.26 g/mol. Its IUPAC name is dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate
PubChem CID139320839
Molecular FormulaC13H14N2O7
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Namedimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate
SMILESCOC(=O)CNC(=O)c1cc(C(=O)OC)nc(C(=O)OC)c1
InChIInChI=1S/C13H14N2O7/c1-20-10(16)6-14-11(17)7-4-8(12(18)21-2)15-9(5-7)13(19)22-3/h4-5H,6H2,1-3H3,(H,14,17)
InChIKeyRGNGRJKDZZYTNF-UHFFFAOYSA-N
XLogP-0.44
TPSA120.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate
CID 131997252
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate
CID 59153792
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080
dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate (CID 139320839) is dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate is COC(=O)CNC(=O)c1cc(C(=O)OC)nc(C(=O)OC)c1.
What is the InChIKey of dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate?
The InChIKey is RGNGRJKDZZYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O7/c1-20-10(16)6-14-11(17)7-4-8(12(18)21-2)15-9(5-7)13(19)22-3/h4-5H,6H2,1-3H3,(H,14,17).
What are the key properties of dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate?
dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate has a molecular weight of 310.26 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate is sourced from PubChem (CID 139320839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).