1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile

C10H14N2O — CID 647150

IUPAC1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(C)(C)C1
InChIInChI=1S/C10H14N2O/c1-7-5-10(2,3)12(4)9(13)8(7)6-11/h5H2,1-4H3
InChIKeyPIWXAVWLDPAFQJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.47
Rot. Bonds

About 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile

1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile (PubChem CID 647150) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile
PubChem CID647150
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(=O)N(C)C(C)(C)C1
InChIInChI=1S/C10H14N2O/c1-7-5-10(2,3)12(4)9(13)8(7)6-11/h5H2,1-4H3
InChIKeyPIWXAVWLDPAFQJ-UHFFFAOYSA-N
XLogP1.47
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile?
The IUPAC name of 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile (CID 647150) is 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile.
What is the SMILES notation for 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile?
The canonical SMILES for 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile is CC1=C(C#N)C(=O)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile?
The InChIKey is PIWXAVWLDPAFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-5-10(2,3)12(4)9(13)8(7)6-11/h5H2,1-4H3.
What are the key properties of 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile?
1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile has a molecular weight of 178.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetramethyl-6-oxo-3H-pyridine-5-carbonitrile is sourced from PubChem (CID 647150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).