6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile

C15H21N3O3 — CID 3146303

IUPAC6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
SMILESCc1c(CN2CCCCC2)c(O)n(CCO)c(=O)c1C#N
InChIInChI=1S/C15H21N3O3/c1-11-12(9-16)14(20)18(7-8-19)15(21)13(11)10-17-5-3-2-4-6-17/h19,21H,2-8,10H2,1H3
InChIKeySINPRXWBWXVYNC-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.71
Rot. Bonds4

About 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile

6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile (PubChem CID 3146303) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
PubChem CID3146303
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
SMILESCc1c(CN2CCCCC2)c(O)n(CCO)c(=O)c1C#N
InChIInChI=1S/C15H21N3O3/c1-11-12(9-16)14(20)18(7-8-19)15(21)13(11)10-17-5-3-2-4-6-17/h19,21H,2-8,10H2,1H3
InChIKeySINPRXWBWXVYNC-UHFFFAOYSA-N
XLogP0.71
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1-propylpyridine-3-carbonitrile
CID 644571
6-Hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 647740
6-Hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 3152402
1-Allyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1,2-dihydropyridine-3-carbonitrile
CID 1504760
6-Hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile
CID 650942
6-Hydroxy-4-methyl-5-[(3-methylpiperidin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile
CID 656096
6-Hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 728870
6-Hydroxy-1-(2-hydroxypropyl)-4-methyl-2-oxo-5-(piperidylmethyl)hydropyridine-3-carbonitrile
CID 4601600
6-Hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 3146304
1-(2-Hydroxyethyl)-4-methyl-2,6-dioxo-5-(piperidin-1-ylmethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
CID 4136269
5-Cyano-1-(2-hydroxyethyl)-4-methyl-6-oxo-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate
CID 28458077
1-Butyl-6-hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 57549033

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile (CID 3146303) is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile is Cc1c(CN2CCCCC2)c(O)n(CCO)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is SINPRXWBWXVYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-12(9-16)14(20)18(7-8-19)15(21)13(11)10-17-5-3-2-4-6-17/h19,21H,2-8,10H2,1H3.
What are the key properties of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile?
6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 291.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3146303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).