methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate

C16H13N3O6 — CID 102423547

IUPACmethyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NC(=O)c2cccc(C(=O)OC)n2)n1
InChIInChI=1S/C16H13N3O6/c1-24-15(22)11-7-3-5-9(17-11)13(20)19-14(21)10-6-4-8-12(18-10)16(23)25-2/h3-8H,1-2H3,(H,19,20,21)
InChIKeyYXVYSKYZCYVMGY-UHFFFAOYSA-N
MW343.30 g/mol
LogP0.62
Rot. Bonds4

About methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 102423547) has the molecular formula C16H13N3O6 and a molecular weight of 343.30 g/mol. Its IUPAC name is methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate
PubChem CID102423547
Molecular FormulaC16H13N3O6
Molecular Weight343.30 g/mol
Exact Mass343.08
IUPAC Namemethyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NC(=O)c2cccc(C(=O)OC)n2)n1
InChIInChI=1S/C16H13N3O6/c1-24-15(22)11-7-3-5-9(17-11)13(20)19-14(21)10-6-4-8-12(18-10)16(23)25-2/h3-8H,1-2H3,(H,19,20,21)
InChIKeyYXVYSKYZCYVMGY-UHFFFAOYSA-N
XLogP0.62
TPSA124.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Diethyl dipicolinate
CID 254510
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
Methyl 6-(7-amino-5,8-dioxoquinolin-2-yl)pyridine-2-carboxylate
CID 13891338
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
6-(Methylcarbamoyl)pyridine-2-carboxylic acid
CID 43558273
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421
Methyl 6-methylpyridine-2-carboxylate
CID 73022
2,2'-Bipyridine-6,6'-dicarboxylic Acid
CID 9959961

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate (CID 102423547) is methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NC(=O)c2cccc(C(=O)OC)n2)n1.
What is the InChIKey of methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is YXVYSKYZCYVMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O6/c1-24-15(22)11-7-3-5-9(17-11)13(20)19-14(21)10-6-4-8-12(18-10)16(23)25-2/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 343.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-methoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 102423547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).