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

C32H25N7O10 — CID 102393256

IUPACethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-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)NC(=O)c4cccc(C(=O)OCC)n4)n3)n2)n1
InChIInChI=1S/C32H25N7O10/c1-3-48-31(46)23-15-7-13-21(35-23)29(44)38-27(42)19-11-5-9-17(33-19)25(40)37-26(41)18-10-6-12-20(34-18)28(43)39-30(45)22-14-8-16-24(36-22)32(47)49-4-2/h5-16H,3-4H2,1-2H3,(H,37,40,41)(H,38,42,44)(H,39,43,45)
InChIKeyIMWLNINRWKQTLP-UHFFFAOYSA-N
MW667.59 g/mol
LogP1.33
Rot. Bonds10

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

ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate (PubChem CID 102393256) has the molecular formula C32H25N7O10 and a molecular weight of 667.59 g/mol. Its IUPAC name is ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate
PubChem CID102393256
Molecular FormulaC32H25N7O10
Molecular Weight667.59 g/mol
Exact Mass667.17
IUPAC Nameethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-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)NC(=O)c4cccc(C(=O)OCC)n4)n3)n2)n1
InChIInChI=1S/C32H25N7O10/c1-3-48-31(46)23-15-7-13-21(35-23)29(44)38-27(42)19-11-5-9-17(33-19)25(40)37-26(41)18-10-6-12-20(34-18)28(43)39-30(45)22-14-8-16-24(36-22)32(47)49-4-2/h5-16H,3-4H2,1-2H3,(H,37,40,41)(H,38,42,44)(H,39,43,45)
InChIKeyIMWLNINRWKQTLP-UHFFFAOYSA-N
XLogP1.33
TPSA242.67 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.59
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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

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Related Compounds

Isopropyl 6-({[4-(acetylamino)phenyl]amino}carbonyl)pyridine-2-carboxylate
CID 3235826
Dimethyl 2,2'-Bipyridine-6,6'-dicarboxylate
CID 11477388
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-({6-[6-(methoxycarbonyl)pyridine-2-amido]pyridin-2-YL}carbamoyl)pyridine-2-carboxylate
CID 3969909
Methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate
CID 5174413
1,7,10,22-Tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione
CID 102385727
Ethyl 6-carbamoylpicolinate
CID 91247480
Ethyl 6-[(4-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 3279455
Ethyl 6-[(3-fluorophenyl)carbamoyl]pyridine-2-carboxylate
CID 4203463
(5S,15S)-5,15-dibenzyl-3,17-dioxa-6,14,23,24-tetrazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 11114449
Ethyl 6-[6-[[6-(6-ethoxycarbonyl-2-pyridinyl)-2-pyridinyl]-phenylphosphoryl]-2-pyridinyl]pyridine-2-carboxylate
CID 11606672

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate (CID 102393256) is ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-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)NC(=O)c4cccc(C(=O)OCC)n4)n3)n2)n1.
What is the InChIKey of ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate?
The InChIKey is IMWLNINRWKQTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N7O10/c1-3-48-31(46)23-15-7-13-21(35-23)29(44)38-27(42)19-11-5-9-17(33-19)25(40)37-26(41)18-10-6-12-20(34-18)28(43)39-30(45)22-14-8-16-24(36-22)32(47)49-4-2/h5-16H,3-4H2,1-2H3,(H,37,40,41)(H,38,42,44)(H,39,43,45).
What are the key properties of ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate?
ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate has a molecular weight of 667.59 g/mol, XLogP of 1.33, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carbonyl]carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 102393256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).