2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide

C18H23N3O2 — CID 68649341

IUPAC2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CC=C(c2ccc(C#N)cc2C)CC1
InChIInChI=1S/C18H23N3O2/c1-14-11-15(12-19)3-4-17(14)16-5-8-21(9-6-16)13-18(22)20-7-10-23-2/h3-5,11H,6-10,13H2,1-2H3,(H,20,22)
InChIKeyJQWNKPOQXUJRLR-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.72
Rot. Bonds6

About 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 68649341) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID68649341
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CC=C(c2ccc(C#N)cc2C)CC1
InChIInChI=1S/C18H23N3O2/c1-14-11-15(12-19)3-4-17(14)16-5-8-21(9-6-16)13-18(22)20-7-10-23-2/h3-5,11H,6-10,13H2,1-2H3,(H,20,22)
InChIKeyJQWNKPOQXUJRLR-UHFFFAOYSA-N
XLogP1.72
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide (CID 68649341) is 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CC=C(c2ccc(C#N)cc2C)CC1.
What is the InChIKey of 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is JQWNKPOQXUJRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-11-15(12-19)3-4-17(14)16-5-8-21(9-6-16)13-18(22)20-7-10-23-2/h3-5,11H,6-10,13H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 68649341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).