2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile

C12H16N2O2 — CID 82525680

IUPAC2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCOCCn1c(C)cc(C)c(CC#N)c1=O
InChIInChI=1S/C12H16N2O2/c1-9-8-10(2)14(6-7-16-3)12(15)11(9)4-5-13/h8H,4,6-7H2,1-3H3
InChIKeyZCNLZEGSNCVMTI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.18
Rot. Bonds4

About 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile

2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile (PubChem CID 82525680) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile
PubChem CID82525680
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCOCCn1c(C)cc(C)c(CC#N)c1=O
InChIInChI=1S/C12H16N2O2/c1-9-8-10(2)14(6-7-16-3)12(15)11(9)4-5-13/h8H,4,6-7H2,1-3H3
InChIKeyZCNLZEGSNCVMTI-UHFFFAOYSA-N
XLogP1.18
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525694
1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525650
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one
CID 82525687
3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82525616
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124655
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile
CID 82442992
2-[1-(2-methoxyethyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524085
1-(2-methoxyethyl)-4,6-dimethyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one
CID 82525670
3-amino-4-(dimethylamino)-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 39334466
1-(2-methoxyethyl)-4,6-dimethyl-3-(piperazine-1-carbonyl)pyridin-2-one
CID 82525678
1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 139051000
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile (CID 82525680) is 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile is COCCn1c(C)cc(C)c(CC#N)c1=O.
What is the InChIKey of 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile?
The InChIKey is ZCNLZEGSNCVMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-8-10(2)14(6-7-16-3)12(15)11(9)4-5-13/h8H,4,6-7H2,1-3H3.
What are the key properties of 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile?
2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82525680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).