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

C12H13N3 — CID 155230531

IUPAC4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile
SMILESCN1CC=C(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C12H13N3/c1-15-6-3-10(4-7-15)11-2-5-14-12(8-11)9-13/h2-3,5,8H,4,6-7H2,1H3
InChIKeyJWVOOKQQYYCDNO-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.67
Rot. Bonds1

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

4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile (PubChem CID 155230531) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile
PubChem CID155230531
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile
SMILESCN1CC=C(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C12H13N3/c1-15-6-3-10(4-7-15)11-2-5-14-12(8-11)9-13/h2-3,5,8H,4,6-7H2,1H3
InChIKeyJWVOOKQQYYCDNO-UHFFFAOYSA-N
XLogP1.67
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile (CID 155230531) is 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile is CN1CC=C(c2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile?
The InChIKey is JWVOOKQQYYCDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-15-6-3-10(4-7-15)11-2-5-14-12(8-11)9-13/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile?
4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 155230531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).