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

C16H24N4O2 — CID 1080090

IUPAC6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(CN2CCN(C)CC2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H24N4O2/c1-4-5-20-15(21)13(10-17)12(2)14(16(20)22)11-19-8-6-18(3)7-9-19/h22H,4-9,11H2,1-3H3
InChIKeyMNABSHHTHSCTJV-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.89
Rot. Bonds4

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

6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 1080090) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile
PubChem CID1080090
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(CN2CCN(C)CC2)c(C)c(C#N)c1=O
InChIInChI=1S/C16H24N4O2/c1-4-5-20-15(21)13(10-17)12(2)14(16(20)22)11-19-8-6-18(3)7-9-19/h22H,4-9,11H2,1-3H3
InChIKeyMNABSHHTHSCTJV-UHFFFAOYSA-N
XLogP0.89
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile (CID 1080090) is 6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(CN2CCN(C)CC2)c(C)c(C#N)c1=O.
What is the InChIKey of 6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is MNABSHHTHSCTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-5-20-15(21)13(10-17)12(2)14(16(20)22)11-19-8-6-18(3)7-9-19/h22H,4-9,11H2,1-3H3.
What are the key properties of 6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 304.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 1080090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).