2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide

C25H27N3O4 — CID 1222432

IUPAC2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-20-10-6-18(7-11-20)14-16-26-24(29)22-4-3-5-23(28-22)25(30)27-17-15-19-8-12-21(32-2)13-9-19/h3-13H,14-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyOWJAPSSSMBYAGK-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.04
Rot. Bonds10

About 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide (PubChem CID 1222432) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
PubChem CID1222432
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-20-10-6-18(7-11-20)14-16-26-24(29)22-4-3-5-23(28-22)25(30)27-17-15-19-8-12-21(32-2)13-9-19/h3-13H,14-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyOWJAPSSSMBYAGK-UHFFFAOYSA-N
XLogP3.04
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide (CID 1222432) is 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide is COc1ccc(CCNC(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide?
The InChIKey is OWJAPSSSMBYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-20-10-6-18(7-11-20)14-16-26-24(29)22-4-3-5-23(28-22)25(30)27-17-15-19-8-12-21(32-2)13-9-19/h3-13H,14-17H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 1222432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).