2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide

C22H16N4O3 — CID 109101022

IUPAC2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3C#N)n2)cc1
InChIInChI=1S/C22H16N4O3/c1-14(27)15-9-11-17(12-10-15)24-21(28)19-7-4-8-20(25-19)22(29)26-18-6-3-2-5-16(18)13-23/h2-12H,1H3,(H,24,28)(H,26,29)
InChIKeyDLWMSMUHFAJQSQ-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.66
Rot. Bonds5

About 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide

2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide (PubChem CID 109101022) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide
PubChem CID109101022
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3C#N)n2)cc1
InChIInChI=1S/C22H16N4O3/c1-14(27)15-9-11-17(12-10-15)24-21(28)19-7-4-8-20(25-19)22(29)26-18-6-3-2-5-16(18)13-23/h2-12H,1H3,(H,24,28)(H,26,29)
InChIKeyDLWMSMUHFAJQSQ-UHFFFAOYSA-N
XLogP3.66
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-acetylphenyl)-6-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100082
6-N-(2-cyanophenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100983
2-N-(4-acetylphenyl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100922
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
6-N-(2-cyanophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095810
N-(2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239776
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
2-N-(4-acetylphenyl)-6-N-(2,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101020
6-N-butyl-2-N-(2-cyanophenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099614
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311
2-N-(4-acetylphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095061
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide (CID 109101022) is 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide is CC(=O)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccccc3C#N)n2)cc1.
What is the InChIKey of 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is DLWMSMUHFAJQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c1-14(27)15-9-11-17(12-10-15)24-21(28)19-7-4-8-20(25-19)22(29)26-18-6-3-2-5-16(18)13-23/h2-12H,1H3,(H,24,28)(H,26,29).
What are the key properties of 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide?
2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 384.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetylphenyl)-6-N-(2-cyanophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109101022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).