4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C18H19N3O2 — CID 168585248

IUPAC4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2N2CCC(O)CC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H19N3O2/c1-12-10-15(16(11-19)18(23)20-12)14-4-2-3-5-17(14)21-8-6-13(22)7-9-21/h2-5,10,13,22H,6-9H2,1H3,(H,20,23)
InChIKeyKIXGHGRLTYLNOB-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.18
Rot. Bonds2

About 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585248) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585248
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccccc2N2CCC(O)CC2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C18H19N3O2/c1-12-10-15(16(11-19)18(23)20-12)14-4-2-3-5-17(14)21-8-6-13(22)7-9-21/h2-5,10,13,22H,6-9H2,1H3,(H,20,23)
InChIKeyKIXGHGRLTYLNOB-UHFFFAOYSA-N
XLogP2.18
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-oxo-4-(2-piperidin-1-ylphenyl)-1H-pyridine-3-carbonitrile
CID 168585718
4-[2-(cyclopropylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585130
4-(4-bromo-2-piperidin-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585621
4-[2-(1,3-dioxan-2-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587211
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
4-(2-cyclopentyloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587268
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
6-methyl-2-oxo-4-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168585449
4-(2-chloro-4-pyrrolidin-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584570
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
CID 168585684

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585248) is 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccccc2N2CCC(O)CC2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KIXGHGRLTYLNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-10-15(16(11-19)18(23)20-12)14-4-2-3-5-17(14)21-8-6-13(22)7-9-21/h2-5,10,13,22H,6-9H2,1H3,(H,20,23).
What are the key properties of 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).