5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile

C13H18N4 — CID 113321436

IUPAC5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCNCC1CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C13H18N4/c1-15-8-11-3-2-6-17(10-11)13-5-4-12(7-14)16-9-13/h4-5,9,11,15H,2-3,6,8,10H2,1H3
InChIKeyZVPLLGPUKUSLBE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.39
Rot. Bonds3

About 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile

5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 113321436) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID113321436
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCNCC1CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C13H18N4/c1-15-8-11-3-2-6-17(10-11)13-5-4-12(7-14)16-9-13/h4-5,9,11,15H,2-3,6,8,10H2,1H3
InChIKeyZVPLLGPUKUSLBE-UHFFFAOYSA-N
XLogP1.39
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methyl]carbamate
CID 91646940
2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid
CID 113320477
5-[3-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490405
5-[(3S)-3-(azepan-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 97120528
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
5-(3-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 133395003
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
N-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methanamine
CID 61204820
1-(6-cyano-3-pyridinyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 86789283
5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 79839803
5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490407
1-[1-(5-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylmethanamine
CID 61313343

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 113321436) is 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile is CNCC1CCCN(c2ccc(C#N)nc2)C1.
What is the InChIKey of 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is ZVPLLGPUKUSLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-15-8-11-3-2-6-17(10-11)13-5-4-12(7-14)16-9-13/h4-5,9,11,15H,2-3,6,8,10H2,1H3.
What are the key properties of 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile?
5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 113321436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).