1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C10H12N2O2 — CID 50888652

IUPAC1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C)c(C)c(C#N)c1=O
InChIInChI=1S/C10H12N2O2/c1-4-12-9(13)7(3)6(2)8(5-11)10(12)14/h13H,4H2,1-3H3
InChIKeyFTCNIZSJHQIFAY-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.06
Rot. Bonds1

About 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 50888652) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID50888652
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C)c(C)c(C#N)c1=O
InChIInChI=1S/C10H12N2O2/c1-4-12-9(13)7(3)6(2)8(5-11)10(12)14/h13H,4H2,1-3H3
InChIKeyFTCNIZSJHQIFAY-UHFFFAOYSA-N
XLogP1.06
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-hydroxy-4-methyl-2-oxo-5-prop-2-enylpyridine-3-carbonitrile
CID 50888715
1-(3-butoxypropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 91056744
1-ethyl-3,4-dimethylpyrrole-2,5-diol
CID 91502885
5-(4-ethoxybenzoyl)-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115099
5-[(4-tert-butylphenyl)iminomethyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135653541
5-[2-(2,6-dimethylphenoxy)acetyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115109
1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 167961025
5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835511
2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile
CID 91209185
1-ethyl-5-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19115174
6-hydroxy-4-methyl-5-(2-methylpropanoyl)-2-oxo-1-pentylpyridine-3-carbonitrile
CID 19115536
1-ethyl-6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)iminomethyl]-2-oxopyridine-3-carbonitrile
CID 135668889

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 50888652) is 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is CCn1c(O)c(C)c(C)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is FTCNIZSJHQIFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-4-12-9(13)7(3)6(2)8(5-11)10(12)14/h13H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 50888652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).