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

C14H16N2 — CID 117003256

IUPAC1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCc1ccc(N2CC=C(C#N)CC2)c(C)c1
InChIInChI=1S/C14H16N2/c1-11-3-4-14(12(2)9-11)16-7-5-13(10-15)6-8-16/h3-5,9H,6-8H2,1-2H3
InChIKeyMSDPOLIWRWKELR-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.96
Rot. Bonds1

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

1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 117003256) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID117003256
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCc1ccc(N2CC=C(C#N)CC2)c(C)c1
InChIInChI=1S/C14H16N2/c1-11-3-4-14(12(2)9-11)16-7-5-13(10-15)6-8-16/h3-5,9H,6-8H2,1-2H3
InChIKeyMSDPOLIWRWKELR-UHFFFAOYSA-N
XLogP2.96
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 117003256) is 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is Cc1ccc(N2CC=C(C#N)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is MSDPOLIWRWKELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-3-4-14(12(2)9-11)16-7-5-13(10-15)6-8-16/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 117003256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).