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

C14H18N4O — CID 63719374

IUPAC6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCN(C)C1CCN(C(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H18N4O/c1-17(2)12-5-7-18(8-6-12)14(19)13-4-3-11(9-15)10-16-13/h3-4,10,12H,5-8H2,1-2H3
InChIKeyVDRGUTKOWJYAAR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.12
Rot. Bonds2

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

6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile (PubChem CID 63719374) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
PubChem CID63719374
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
SMILESCN(C)C1CCN(C(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H18N4O/c1-17(2)12-5-7-18(8-6-12)14(19)13-4-3-11(9-15)10-16-13/h3-4,10,12H,5-8H2,1-2H3
InChIKeyVDRGUTKOWJYAAR-UHFFFAOYSA-N
XLogP1.12
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580
6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63724415
6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 103900440
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
[4-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104640276
6-(4,4-dimethylazepane-1-carbonyl)pyridine-3-carbonitrile
CID 65281399
6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 102677644
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-3-carbonitrile
CID 78950104
6-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]pyridine-3-carbonitrile
CID 128973859

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile (CID 63719374) is 6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile is CN(C)C1CCN(C(=O)c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile?
The InChIKey is VDRGUTKOWJYAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)12-5-7-18(8-6-12)14(19)13-4-3-11(9-15)10-16-13/h3-4,10,12H,5-8H2,1-2H3.
What are the key properties of 6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile?
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile is sourced from PubChem (CID 63719374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).