2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

C14H17N3O — CID 55100699

IUPAC2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC(C=O)C2)n1
InChIInChI=1S/C14H17N3O/c1-10-6-11(2)16-14(13(10)7-15)17-5-3-4-12(8-17)9-18/h6,9,12H,3-5,8H2,1-2H3
InChIKeyYHEJBFUPNLARSB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds2

About 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 55100699) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID55100699
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCCC(C=O)C2)n1
InChIInChI=1S/C14H17N3O/c1-10-6-11(2)16-14(13(10)7-15)17-5-3-4-12(8-17)9-18/h6,9,12H,3-5,8H2,1-2H3
InChIKeyYHEJBFUPNLARSB-UHFFFAOYSA-N
XLogP1.99
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658799
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114770482
4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122137130
4,6-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95888742
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 154883013
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562
2-[4-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]-4,6-dimethylpyridine-3-carbonitrile;formic acid
CID 154924190
2-(3-ethyl-4-methylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 63621643
N-tert-butyl-1-(3-cyano-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 155799749
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 55100699) is 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCCC(C=O)C2)n1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is YHEJBFUPNLARSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-11(2)16-14(13(10)7-15)17-5-3-4-12(8-17)9-18/h6,9,12H,3-5,8H2,1-2H3.
What are the key properties of 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 55100699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).