N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide

C21H17N5O2 — CID 109245887

IUPACN-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(Nc3ccccc3C#N)c2)cc1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-17-6-8-18(9-7-17)26-21(28)16-10-19(13-23-12-16)25-20-5-3-2-4-15(20)11-22/h2-10,12-13,25H,1H3,(H,24,27)(H,26,28)
InChIKeyGMLFDZNFTZDHPA-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.91
Rot. Bonds5

About N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide

N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109245887) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
PubChem CID109245887
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(Nc3ccccc3C#N)c2)cc1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-17-6-8-18(9-7-17)26-21(28)16-10-19(13-23-12-16)25-20-5-3-2-4-15(20)11-22/h2-10,12-13,25H,1H3,(H,24,27)(H,26,28)
InChIKeyGMLFDZNFTZDHPA-UHFFFAOYSA-N
XLogP3.91
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109243164
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
5-(2-cyanoanilino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109243961
5-(2-cyanoanilino)-N-cyclopropylpyridine-3-carboxamide
CID 109223742
N-(2-cyanophenyl)-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109246343
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109200420
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
N-(2-cyanophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245547
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide (CID 109245887) is N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cncc(Nc3ccccc3C#N)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is GMLFDZNFTZDHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14(27)24-17-6-8-18(9-7-17)26-21(28)16-10-19(13-23-12-16)25-20-5-3-2-4-15(20)11-22/h2-10,12-13,25H,1H3,(H,24,27)(H,26,28).
What are the key properties of N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide?
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).