6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile

C13H15N3O2 — CID 103900440

IUPAC6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
SMILESCC1CCN(C(=O)c2ccc(C#N)cn2)CC1O
InChIInChI=1S/C13H15N3O2/c1-9-4-5-16(8-12(9)17)13(18)11-3-2-10(6-14)7-15-11/h2-3,7,9,12,17H,4-5,8H2,1H3
InChIKeyMBWUVRYCSJWHSS-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.80
Rot. Bonds1

About 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile

6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile (PubChem CID 103900440) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
PubChem CID103900440
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
SMILESCC1CCN(C(=O)c2ccc(C#N)cn2)CC1O
InChIInChI=1S/C13H15N3O2/c1-9-4-5-16(8-12(9)17)13(18)11-3-2-10(6-14)7-15-11/h2-3,7,9,12,17H,4-5,8H2,1H3
InChIKeyMBWUVRYCSJWHSS-UHFFFAOYSA-N
XLogP0.80
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 102677644
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102963953
6-[3-(methoxymethyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 64598709
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
6-(4-aminopiperidine-1-carbonyl)pyridine-3-carbonitrile
CID 63723580
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964695
6-[4-(methylaminomethyl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63724415
5-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 113348340
6-[2-(bromomethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 102788235
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 102964768

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile (CID 103900440) is 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile is CC1CCN(C(=O)c2ccc(C#N)cn2)CC1O.
What is the InChIKey of 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile?
The InChIKey is MBWUVRYCSJWHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-5-16(8-12(9)17)13(18)11-3-2-10(6-14)7-15-11/h2-3,7,9,12,17H,4-5,8H2,1H3.
What are the key properties of 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile?
6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 103900440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).