methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate

C24H32N2O4 — CID 71521891

IUPACmethyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CCCCCCCCCCc2ccc(C(=O)OC)nc2)cn1
InChIInChI=1S/C24H32N2O4/c1-29-23(27)21-15-13-19(17-25-21)11-9-7-5-3-4-6-8-10-12-20-14-16-22(26-18-20)24(28)30-2/h13-18H,3-12H2,1-2H3
InChIKeyKQNPVQGFUTVYPP-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.96
Rot. Bonds13

About methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate

methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate (PubChem CID 71521891) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate
PubChem CID71521891
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Namemethyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CCCCCCCCCCc2ccc(C(=O)OC)nc2)cn1
InChIInChI=1S/C24H32N2O4/c1-29-23(27)21-15-13-19(17-25-21)11-9-7-5-3-4-6-8-10-12-20-14-16-22(26-18-20)24(28)30-2/h13-18H,3-12H2,1-2H3
InChIKeyKQNPVQGFUTVYPP-UHFFFAOYSA-N
XLogP4.96
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate (CID 71521891) is methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate is COC(=O)c1ccc(CCCCCCCCCCc2ccc(C(=O)OC)nc2)cn1.
What is the InChIKey of methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate?
The InChIKey is KQNPVQGFUTVYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-29-23(27)21-15-13-19(17-25-21)11-9-7-5-3-4-6-8-10-12-20-14-16-22(26-18-20)24(28)30-2/h13-18H,3-12H2,1-2H3.
What are the key properties of methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate?
methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 4.96, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[10-(6-methoxycarbonyl-3-pyridinyl)decyl]pyridine-2-carboxylate is sourced from PubChem (CID 71521891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).