2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile

C13H15N3O — CID 114770482

IUPAC2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCCC(C=O)C2)n1
InChIInChI=1S/C13H15N3O/c1-10-5-12(7-14)6-13(15-10)16-4-2-3-11(8-16)9-17/h5-6,9,11H,2-4,8H2,1H3
InChIKeyRNVZAOVDCPDMRI-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.68
Rot. Bonds2

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

2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile (PubChem CID 114770482) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
PubChem CID114770482
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCCC(C=O)C2)n1
InChIInChI=1S/C13H15N3O/c1-10-5-12(7-14)6-13(15-10)16-4-2-3-11(8-16)9-17/h5-6,9,11H,2-4,8H2,1H3
InChIKeyRNVZAOVDCPDMRI-UHFFFAOYSA-N
XLogP1.68
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.68
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-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55100699
(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde
CID 42555979
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 114765581
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
2-[1-(4-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114765472
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile
CID 102889041
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile
CID 114766685
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile (CID 114770482) is 2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CCCC(C=O)C2)n1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile?
The InChIKey is RNVZAOVDCPDMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-5-12(7-14)6-13(15-10)16-4-2-3-11(8-16)9-17/h5-6,9,11H,2-4,8H2,1H3.
What are the key properties of 2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile?
2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile has a molecular weight of 229.28 g/mol, XLogP of 1.68, 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)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114770482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).