ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate

C25H21N5O8 — CID 102393255

IUPACethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)NC(=O)c2cccc(C(=O)NC(=O)c3cccc(C(=O)OCC)n3)n2)n1
InChIInChI=1S/C25H21N5O8/c1-3-37-24(35)18-12-6-10-16(27-18)22(33)29-20(31)14-8-5-9-15(26-14)21(32)30-23(34)17-11-7-13-19(28-17)25(36)38-4-2/h5-13H,3-4H2,1-2H3,(H,29,31,33)(H,30,32,34)
InChIKeyUZISEQPGNIYQOQ-UHFFFAOYSA-N
MW519.47 g/mol
LogP1.37
Rot. Bonds8

About ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate

ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate (PubChem CID 102393255) has the molecular formula C25H21N5O8 and a molecular weight of 519.47 g/mol. Its IUPAC name is ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate
PubChem CID102393255
Molecular FormulaC25H21N5O8
Molecular Weight519.47 g/mol
Exact Mass519.14
IUPAC Nameethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)NC(=O)c2cccc(C(=O)NC(=O)c3cccc(C(=O)OCC)n3)n2)n1
InChIInChI=1S/C25H21N5O8/c1-3-37-24(35)18-12-6-10-16(27-18)22(33)29-20(31)14-8-5-9-15(26-14)21(32)30-23(34)17-11-7-13-19(28-17)25(36)38-4-2/h5-13H,3-4H2,1-2H3,(H,29,31,33)(H,30,32,34)
InChIKeyUZISEQPGNIYQOQ-UHFFFAOYSA-N
XLogP1.37
TPSA183.61 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate with MolForge

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Related Compounds

Diethyl dipicolinate
CID 254510
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Isopropyl 6-({[4-(acetylamino)phenyl]amino}carbonyl)pyridine-2-carboxylate
CID 3235826
Dipentyl pyridine-2,6-dicarboxylate
CID 1725701
Dimethyl 2,2'-Bipyridine-6,6'-dicarboxylate
CID 11477388
Bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823
Methyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3965403
Propan-2-YL 6-[(6-{6-[(propan-2-yloxy)carbonyl]pyridine-2-amido}pyridin-2-YL)carbamoyl]pyridine-2-carboxylate
CID 4684432
Ethyl 6-({6-[6-(ethoxycarbonyl)pyridine-2-amido]pyridin-2-YL}carbamoyl)pyridine-2-carboxylate
CID 5023417
Methyl 6-[(2-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 46394478
Methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46394503
[2,2':6',2''-Terpyridine]-6,6''-dicarboxylic acid
CID 22355148

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate (CID 102393255) is ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C(=O)NC(=O)c2cccc(C(=O)NC(=O)c3cccc(C(=O)OCC)n3)n2)n1.
What is the InChIKey of ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate?
The InChIKey is UZISEQPGNIYQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O8/c1-3-37-24(35)18-12-6-10-16(27-18)22(33)29-20(31)14-8-5-9-15(26-14)21(32)30-23(34)17-11-7-13-19(28-17)25(36)38-4-2/h5-13H,3-4H2,1-2H3,(H,29,31,33)(H,30,32,34).
What are the key properties of ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate?
ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate has a molecular weight of 519.47 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 102393255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).