6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile

C14H18N4O — CID 63724415

IUPAC6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCNCC1CCN(C(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H18N4O/c1-16-9-11-4-6-18(7-5-11)14(19)13-3-2-12(8-15)10-17-13/h2-3,10-11,16H,4-7,9H2,1H3
InChIKeyGEUMOPYFPZCGDR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.02
Rot. Bonds3

About 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile

6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile (PubChem CID 63724415) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile
PubChem CID63724415
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCNCC1CCN(C(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H18N4O/c1-16-9-11-4-6-18(7-5-11)14(19)13-3-2-12(8-15)10-17-13/h2-3,10-11,16H,4-7,9H2,1H3
InChIKeyGEUMOPYFPZCGDR-UHFFFAOYSA-N
XLogP1.02
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 103900440
6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 102677644
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
(5-bromo-2-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540200
6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
CID 65281399
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-3-carbonitrile
CID 78950104
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile (CID 63724415) is 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile is CNCC1CCN(C(=O)c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The InChIKey is GEUMOPYFPZCGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-16-9-11-4-6-18(7-5-11)14(19)13-3-2-12(8-15)10-17-13/h2-3,10-11,16H,4-7,9H2,1H3.
What are the key properties of 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile?
6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 63724415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).