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

C23H21N5O6 — CID 5023417

IUPACethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OCC)n3)n2)n1
InChIInChI=1S/C23H21N5O6/c1-3-33-22(31)16-10-5-8-14(24-16)20(29)27-18-12-7-13-19(26-18)28-21(30)15-9-6-11-17(25-15)23(32)34-4-2/h5-13H,3-4H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyBAVAMMIFHPLYAF-UHFFFAOYSA-N
MW463.45 g/mol
LogP2.73
Rot. Bonds8

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

ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate (PubChem CID 5023417) has the molecular formula C23H21N5O6 and a molecular weight of 463.45 g/mol. Its IUPAC name is ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
PubChem CID5023417
Molecular FormulaC23H21N5O6
Molecular Weight463.45 g/mol
Exact Mass463.15
IUPAC Nameethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OCC)n3)n2)n1
InChIInChI=1S/C23H21N5O6/c1-3-33-22(31)16-10-5-8-14(24-16)20(29)27-18-12-7-13-19(26-18)28-21(30)15-9-6-11-17(25-15)23(32)34-4-2/h5-13H,3-4H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyBAVAMMIFHPLYAF-UHFFFAOYSA-N
XLogP2.73
TPSA149.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate (CID 5023417) is ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C(=O)OCC)n3)n2)n1.
What is the InChIKey of ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
The InChIKey is BAVAMMIFHPLYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O6/c1-3-33-22(31)16-10-5-8-14(24-16)20(29)27-18-12-7-13-19(26-18)28-21(30)15-9-6-11-17(25-15)23(32)34-4-2/h5-13H,3-4H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate?
ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate has a molecular weight of 463.45 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[6-[(6-ethoxycarbonylpyridine-2-carbonyl)amino]-2-pyridinyl]carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 5023417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).