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

C21H17N5O2 — CID 109245862

IUPACN-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-18-6-3-7-19(10-18)26-21(28)16-9-20(13-23-12-16)25-17-5-2-4-15(8-17)11-22/h2-10,12-13,25H,1H3,(H,24,27)(H,26,28)
InChIKeyIJSMJKUNVABMSH-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.91
Rot. Bonds5

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

N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109245862) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
PubChem CID109245862
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-18-6-3-7-19(10-18)26-21(28)16-9-20(13-23-12-16)25-17-5-2-4-15(8-17)11-22/h2-10,12-13,25H,1H3,(H,24,27)(H,26,28)
InChIKeyIJSMJKUNVABMSH-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-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109243920
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
methyl 3-[[5-(4-cyanoanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245941
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide
CID 109246320

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide (CID 109245862) is N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is IJSMJKUNVABMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14(27)24-18-6-3-7-19(10-18)26-21(28)16-9-20(13-23-12-16)25-17-5-2-4-15(8-17)11-22/h2-10,12-13,25H,1H3,(H,24,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide?
N-(3-acetamidophenyl)-5-(3-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-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).