4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide

C22H17N5O3 — CID 109093227

IUPAC4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(C(=O)Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C22H17N5O3/c1-14(28)25-17-5-7-18(8-6-17)26-21(29)16-9-10-24-20(12-16)22(30)27-19-4-2-3-15(11-19)13-23/h2-12H,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyUZRAJQGJGPEQNR-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.42
Rot. Bonds5

About 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide

4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109093227) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
PubChem CID109093227
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Name4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(C(=O)Nc3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C22H17N5O3/c1-14(28)25-17-5-7-18(8-6-17)26-21(29)16-9-10-24-20(12-16)22(30)27-19-4-2-3-15(11-19)13-23/h2-12H,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyUZRAJQGJGPEQNR-UHFFFAOYSA-N
XLogP3.42
TPSA123.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
4-N-(4-acetamidophenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091241
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863
4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079174
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
4-N-(4-cyanophenyl)-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109092546

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide (CID 109093227) is 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide is CC(=O)Nc1ccc(NC(=O)c2ccnc(C(=O)Nc3cccc(C#N)c3)c2)cc1.
What is the InChIKey of 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is UZRAJQGJGPEQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-14(28)25-17-5-7-18(8-6-17)26-21(29)16-9-10-24-20(12-16)22(30)27-19-4-2-3-15(11-19)13-23/h2-12H,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide?
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 399.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109093227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).