6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile

C19H22N4O — CID 162638514

IUPAC6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(C(O)c3cccnc3)CC2)nc(C)c1C#N
InChIInChI=1S/C19H22N4O/c1-13-10-18(22-14(2)17(13)11-20)23-8-5-15(6-9-23)19(24)16-4-3-7-21-12-16/h3-4,7,10,12,15,19,24H,5-6,8-9H2,1-2H3
InChIKeyJYYNFWAYDLLOAH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.92
Rot. Bonds3

About 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile

6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 162638514) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile
PubChem CID162638514
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(C(O)c3cccnc3)CC2)nc(C)c1C#N
InChIInChI=1S/C19H22N4O/c1-13-10-18(22-14(2)17(13)11-20)23-8-5-15(6-9-23)19(24)16-4-3-7-21-12-16/h3-4,7,10,12,15,19,24H,5-6,8-9H2,1-2H3
InChIKeyJYYNFWAYDLLOAH-UHFFFAOYSA-N
XLogP2.92
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile (CID 162638514) is 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCC(C(O)c3cccnc3)CC2)nc(C)c1C#N.
What is the InChIKey of 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is JYYNFWAYDLLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-10-18(22-14(2)17(13)11-20)23-8-5-15(6-9-23)19(24)16-4-3-7-21-12-16/h3-4,7,10,12,15,19,24H,5-6,8-9H2,1-2H3.
What are the key properties of 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile?
6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 162638514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).