5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide

C24H25N3O2 — CID 109105843

IUPAC5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-2-27(18-20-11-7-4-8-12-20)24(29)22-15-21(16-25-17-22)23(28)26-14-13-19-9-5-3-6-10-19/h3-12,15-17H,2,13-14,18H2,1H3,(H,26,28)
InChIKeyDRDUCYZNNZMWDM-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.72
Rot. Bonds8

About 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide

5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide (PubChem CID 109105843) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
PubChem CID109105843
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-2-27(18-20-11-7-4-8-12-20)24(29)22-15-21(16-25-17-22)23(28)26-14-13-19-9-5-3-6-10-19/h3-12,15-17H,2,13-14,18H2,1H3,(H,26,28)
InChIKeyDRDUCYZNNZMWDM-UHFFFAOYSA-N
XLogP3.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide (CID 109105843) is 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide is CCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is DRDUCYZNNZMWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-2-27(18-20-11-7-4-8-12-20)24(29)22-15-21(16-25-17-22)23(28)26-14-13-19-9-5-3-6-10-19/h3-12,15-17H,2,13-14,18H2,1H3,(H,26,28).
What are the key properties of 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide?
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).