2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide

C17H17N3O — CID 646700

IUPAC2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide
SMILESCCc1ccccc1NC(=O)C(C#N)Cc1cccnc1
InChIInChI=1S/C17H17N3O/c1-2-14-7-3-4-8-16(14)20-17(21)15(11-18)10-13-6-5-9-19-12-13/h3-9,12,15H,2,10H2,1H3,(H,20,21)
InChIKeyYICFJGNYIQOYJB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.96
Rot. Bonds5

About 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide

2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide (PubChem CID 646700) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide
PubChem CID646700
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide
SMILESCCc1ccccc1NC(=O)C(C#N)Cc1cccnc1
InChIInChI=1S/C17H17N3O/c1-2-14-7-3-4-8-16(14)20-17(21)15(11-18)10-13-6-5-9-19-12-13/h3-9,12,15H,2,10H2,1H3,(H,20,21)
InChIKeyYICFJGNYIQOYJB-UHFFFAOYSA-N
XLogP2.96
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide (CID 646700) is 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide is CCc1ccccc1NC(=O)C(C#N)Cc1cccnc1.
What is the InChIKey of 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide?
The InChIKey is YICFJGNYIQOYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-14-7-3-4-8-16(14)20-17(21)15(11-18)10-13-6-5-9-19-12-13/h3-9,12,15H,2,10H2,1H3,(H,20,21).
What are the key properties of 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide?
2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-ethylphenyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 646700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).