6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile

C15H22N4O3 — CID 3146304

IUPAC6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCN(C)CC2)c(O)n(CCO)c(=O)c1C#N
InChIInChI=1S/C15H22N4O3/c1-11-12(9-16)14(21)19(7-8-20)15(22)13(11)10-18-5-3-17(2)4-6-18/h20,22H,3-8,10H2,1-2H3
InChIKeyHGFLUFIOQAPIDO-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.53
Rot. Bonds4

About 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile

6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 3146304) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID3146304
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCN(C)CC2)c(O)n(CCO)c(=O)c1C#N
InChIInChI=1S/C15H22N4O3/c1-11-12(9-16)14(21)19(7-8-20)15(22)13(11)10-18-5-3-17(2)4-6-18/h20,22H,3-8,10H2,1-2H3
InChIKeyHGFLUFIOQAPIDO-UHFFFAOYSA-N
XLogP-0.53
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile (CID 3146304) is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile is Cc1c(CN2CCN(C)CC2)c(O)n(CCO)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is HGFLUFIOQAPIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-12(9-16)14(21)19(7-8-20)15(22)13(11)10-18-5-3-17(2)4-6-18/h20,22H,3-8,10H2,1-2H3.
What are the key properties of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile?
6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3146304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).