1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

C19H30N2O2 — CID 15538513

IUPAC1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCCCCCCCCCCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C19H30N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-18(22)14-16(2)17(15-20)19(21)23/h14,23H,3-13H2,1-2H3
InChIKeyRMTHFCKIYSHCAA-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.65
Rot. Bonds11

About 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 15538513) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID15538513
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCCCCCCCCCCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C19H30N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-18(22)14-16(2)17(15-20)19(21)23/h14,23H,3-13H2,1-2H3
InChIKeyRMTHFCKIYSHCAA-UHFFFAOYSA-N
XLogP4.65
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
CID 119879
3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 170159
1-Allyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)-1,2-dihydropyridine-3-carbonitrile
CID 1504760
6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504761
6-Hydroxy-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 704165
6-Hydroxy-4-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carbonitrile
CID 3291815
1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 93716
1-[3-(Dimethylamino)propyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 3016231
1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
CID 3016659
1-Hexyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11022536
1-(2-Ethylhexyl)-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 140318540
2-Hydroxy-4-methyl-1-octadecyl-6-oxopyridine-3-carbonitrile
CID 11475153

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 15538513) is 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is CCCCCCCCCCCCn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is RMTHFCKIYSHCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-18(22)14-16(2)17(15-20)19(21)23/h14,23H,3-13H2,1-2H3.
What are the key properties of 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 318.46 g/mol, XLogP of 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 15538513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).