1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile

C13H14N2O — CID 117003289

IUPAC1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCOc1ccc(N2CC=C(C#N)CC2)cc1
InChIInChI=1S/C13H14N2O/c1-16-13-4-2-12(3-5-13)15-8-6-11(10-14)7-9-15/h2-6H,7-9H2,1H3
InChIKeyCPGAGNKRIKZRSC-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.36
Rot. Bonds2

About 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile

1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 117003289) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID117003289
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCOc1ccc(N2CC=C(C#N)CC2)cc1
InChIInChI=1S/C13H14N2O/c1-16-13-4-2-12(3-5-13)15-8-6-11(10-14)7-9-15/h2-6H,7-9H2,1H3
InChIKeyCPGAGNKRIKZRSC-UHFFFAOYSA-N
XLogP2.36
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)piperidine
CID 10130315
3,7-bis(4-methoxyphenyl)-1,5,3,7-diselenadiazocane
CID 11048737
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
1,3-bis(4-methoxyphenyl)-2H-imidazole
CID 151621895
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-carbonitrile
CID 86776623
3,7-bis(4-methoxyphenyl)-1,5,3,7-ditelluradiazocane
CID 15908643
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266430
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]anilino]methylidene]propanedinitrile
CID 168541647
1-(4-methoxyphenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017222
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 117003289) is 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is COc1ccc(N2CC=C(C#N)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is CPGAGNKRIKZRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-13-4-2-12(3-5-13)15-8-6-11(10-14)7-9-15/h2-6H,7-9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 117003289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).