4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile

C13H15N3 — CID 143679048

IUPAC4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile
SMILESCC1=C(c2ccc(C)nc2)CN(C#N)CC1
InChIInChI=1S/C13H15N3/c1-10-5-6-16(9-14)8-13(10)12-4-3-11(2)15-7-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyXSIOOXMDLMCENH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.35
Rot. Bonds1

About 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile

4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile (PubChem CID 143679048) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile
PubChem CID143679048
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile
SMILESCC1=C(c2ccc(C)nc2)CN(C#N)CC1
InChIInChI=1S/C13H15N3/c1-10-5-6-16(9-14)8-13(10)12-4-3-11(2)15-7-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyXSIOOXMDLMCENH-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

5-[4-[2-(3-fluoro-4-pyridinyl)-2-oxoethyl]phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carbonitrile
CID 58110466
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188
2-methyl-5-[5-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrimidine
CID 118345257
1-methyl-4-[2-methyl-4-(6-methyl-3-pyridinyl)phenyl]piperazine
CID 144901537
5-(6-methyl-3-pyridinyl)pyrimidine
CID 88985866
2-(6-methyl-3-pyridinyl)-5-nitrobenzonitrile
CID 170434271
7-chloro-1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145090483
5-(1-ethylpyrazol-4-yl)-2-methylpyridine
CID 58399288
2-(azepan-1-yl)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104823105
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one
CID 62995500
1-methyl-3-(6-methyl-3-pyridinyl)pyridin-2-one
CID 171100530

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile?
The IUPAC name of 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile (CID 143679048) is 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile.
What is the SMILES notation for 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile?
The canonical SMILES for 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile is CC1=C(c2ccc(C)nc2)CN(C#N)CC1.
What is the InChIKey of 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile?
The InChIKey is XSIOOXMDLMCENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-5-6-16(9-14)8-13(10)12-4-3-11(2)15-7-12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile?
4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(6-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonitrile is sourced from PubChem (CID 143679048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).