2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide

C23H23N3O2 — CID 1095055

IUPAC2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1cccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C23H23N3O2/c27-22(24-16-14-18-8-3-1-4-9-18)20-12-7-13-21(26-20)23(28)25-17-15-19-10-5-2-6-11-19/h1-13H,14-17H2,(H,24,27)(H,25,28)
InChIKeyXAVSESQGFAJPCJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.03
Rot. Bonds8

About 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide (PubChem CID 1095055) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide
PubChem CID1095055
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1cccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C23H23N3O2/c27-22(24-16-14-18-8-3-1-4-9-18)20-12-7-13-21(26-20)23(28)25-17-15-19-10-5-2-6-11-19/h1-13H,14-17H2,(H,24,27)(H,25,28)
InChIKeyXAVSESQGFAJPCJ-UHFFFAOYSA-N
XLogP3.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide (CID 1095055) is 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide is O=C(NCCc1ccccc1)c1cccc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide?
The InChIKey is XAVSESQGFAJPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(24-16-14-18-8-3-1-4-9-18)20-12-7-13-21(26-20)23(28)25-17-15-19-10-5-2-6-11-19/h1-13H,14-17H2,(H,24,27)(H,25,28).
What are the key properties of 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2-phenylethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 1095055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).