ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate

C34H35N5O6 — CID 59557612

IUPACethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cccc(CN(Cc3cccc(-c4cccc(C(C)=O)n4)n3)C(CCC(C)=O)C(=O)OC)n2)n1
InChIInChI=1S/C34H35N5O6/c1-5-45-33(42)31-17-9-16-30(38-31)28-14-7-11-25(36-28)21-39(32(34(43)44-4)19-18-22(2)40)20-24-10-6-13-27(35-24)29-15-8-12-26(37-29)23(3)41/h6-17,32H,5,18-21H2,1-4H3
InChIKeyLDMFOUSWNZFICN-UHFFFAOYSA-N
MW609.68 g/mol
LogP4.89
Rot. Bonds14

About ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate

ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate (PubChem CID 59557612) has the molecular formula C34H35N5O6 and a molecular weight of 609.68 g/mol. Its IUPAC name is ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate
PubChem CID59557612
Molecular FormulaC34H35N5O6
Molecular Weight609.68 g/mol
Exact Mass609.26
IUPAC Nameethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2cccc(CN(Cc3cccc(-c4cccc(C(C)=O)n4)n3)C(CCC(C)=O)C(=O)OC)n2)n1
InChIInChI=1S/C34H35N5O6/c1-5-45-33(42)31-17-9-16-30(38-31)28-14-7-11-25(36-28)21-39(32(34(43)44-4)19-18-22(2)40)20-24-10-6-13-27(35-24)29-15-8-12-26(37-29)23(3)41/h6-17,32H,5,18-21H2,1-4H3
InChIKeyLDMFOUSWNZFICN-UHFFFAOYSA-N
XLogP4.89
TPSA141.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.68
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate (CID 59557612) is ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2cccc(CN(Cc3cccc(-c4cccc(C(C)=O)n4)n3)C(CCC(C)=O)C(=O)OC)n2)n1.
What is the InChIKey of ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate?
The InChIKey is LDMFOUSWNZFICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O6/c1-5-45-33(42)31-17-9-16-30(38-31)28-14-7-11-25(36-28)21-39(32(34(43)44-4)19-18-22(2)40)20-24-10-6-13-27(35-24)29-15-8-12-26(37-29)23(3)41/h6-17,32H,5,18-21H2,1-4H3.
What are the key properties of ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate?
ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate has a molecular weight of 609.68 g/mol, XLogP of 4.89, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[6-[[[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]methyl-(1-methoxy-1,5-dioxohexan-2-yl)amino]methyl]-2-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 59557612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).