2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide

C23H21N5O4 — CID 1219136

IUPAC2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)nc2)c1
InChIInChI=1S/C23H21N5O4/c1-14(29)25-17-5-3-7-19(11-17)27-22(31)16-9-10-21(24-13-16)23(32)28-20-8-4-6-18(12-20)26-15(2)30/h3-13H,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyAYCJLSPBVOOWHU-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.50
Rot. Bonds6

About 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide

2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide (PubChem CID 1219136) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide
PubChem CID1219136
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)nc2)c1
InChIInChI=1S/C23H21N5O4/c1-14(29)25-17-5-3-7-19(11-17)27-22(31)16-9-10-21(24-13-16)23(32)28-20-8-4-6-18(12-20)26-15(2)30/h3-13H,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyAYCJLSPBVOOWHU-UHFFFAOYSA-N
XLogP3.50
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide (CID 1219136) is 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)nc2)c1.
What is the InChIKey of 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide?
The InChIKey is AYCJLSPBVOOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-14(29)25-17-5-3-7-19(11-17)27-22(31)16-9-10-21(24-13-16)23(32)28-20-8-4-6-18(12-20)26-15(2)30/h3-13H,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide?
2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide has a molecular weight of 431.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(3-acetamidophenyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 1219136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).