6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile

C13H15N3 — CID 122145682

IUPAC6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile
SMILESCC1=C(C)CN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H15N3/c1-10-5-6-16(9-11(10)2)13-4-3-12(7-14)8-15-13/h3-4,8H,5-6,9H2,1-2H3
InChIKeyBJWXGMAUTHPFOE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.50
Rot. Bonds1

About 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile

6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile (PubChem CID 122145682) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile
PubChem CID122145682
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile
SMILESCC1=C(C)CN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H15N3/c1-10-5-6-16(9-11(10)2)13-4-3-12(7-14)8-15-13/h3-4,8H,5-6,9H2,1-2H3
InChIKeyBJWXGMAUTHPFOE-UHFFFAOYSA-N
XLogP2.50
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile (CID 122145682) is 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile is CC1=C(C)CN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile?
The InChIKey is BJWXGMAUTHPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-5-6-16(9-11(10)2)13-4-3-12(7-14)8-15-13/h3-4,8H,5-6,9H2,1-2H3.
What are the key properties of 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile?
6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 122145682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).