3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide

C17H14N4O — CID 109042814

IUPAC3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCNc2ccccc2C#N)cc1
InChIInChI=1S/C17H14N4O/c18-11-13-5-7-15(8-6-13)21-17(22)9-10-20-16-4-2-1-3-14(16)12-19/h1-8,20H,9-10H2,(H,21,22)
InChIKeyXZCWNKNNEFTBQF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.87
Rot. Bonds5

About 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide

3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide (PubChem CID 109042814) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
PubChem CID109042814
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCNc2ccccc2C#N)cc1
InChIInChI=1S/C17H14N4O/c18-11-13-5-7-15(8-6-13)21-17(22)9-10-20-16-4-2-1-3-14(16)12-19/h1-8,20H,9-10H2,(H,21,22)
InChIKeyXZCWNKNNEFTBQF-UHFFFAOYSA-N
XLogP2.87
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
CID 109037353
N-(3-bromophenyl)-3-(2-cyanoanilino)propanamide
CID 109042155
3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
CID 109038248
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide
CID 109039534
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035242
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
CID 109040980
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide (CID 109042814) is 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide is N#Cc1ccc(NC(=O)CCNc2ccccc2C#N)cc1.
What is the InChIKey of 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide?
The InChIKey is XZCWNKNNEFTBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-11-13-5-7-15(8-6-13)21-17(22)9-10-20-16-4-2-1-3-14(16)12-19/h1-8,20H,9-10H2,(H,21,22).
What are the key properties of 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide?
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide has a molecular weight of 290.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 109042814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).