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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Related Compounds

(2S,3S,5S)-2-[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-hydroxy-5-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 11363711
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125160
(2S,3S,5S)-2-[4-(4-cyano-2-methylphenyl)-1,2,3,6-tetrahydropyridine-2-carbonyl]-N-hydroxy-5-[2-(2-methoxyethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 87868022
2-[4-(2-cyano-4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 71871275
(3aR,6aS)-5-[[4-(4-cyano-2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-5-N-hydroxy-2-N,2-N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2,5-dicarboxamide
CID 57328927
4-cyano-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylbenzamide
CID 154739599
N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide
CID 107807962
2-[4-[2,3-bis(4-chlorophenyl)-6-(4-cyano-2-ethoxyphenyl)-3,4-dihydro-2H-pyridine-1-carbonyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 143290838
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 120640503
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 62037442

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).