4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile

C10H13N3O2 — CID 96590800

IUPAC4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOCc1cc(N(C)C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C10H13N3O2/c1-13(2)9-4-7(6-15-3)12-10(14)8(9)5-11/h4H,6H2,1-3H3,(H,12,14)
InChIKeyXWPFPNKVXXKVCJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.46
Rot. Bonds3

About 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 96590800) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID96590800
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOCc1cc(N(C)C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C10H13N3O2/c1-13(2)9-4-7(6-15-3)12-10(14)8(9)5-11/h4H,6H2,1-3H3,(H,12,14)
InChIKeyXWPFPNKVXXKVCJ-UHFFFAOYSA-N
XLogP0.46
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 10630830
4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585918
2-amino-4-[4-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394967
4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile
CID 90458867
2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid
CID 83877909
ethyl 3-cyano-2-oxo-6-pentyl-1H-pyridine-4-carboxylate
CID 165460318
4-amino-2-(dimethylamino)-6-oxo-1H-pyridine-3-carbonitrile
CID 165451117
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
6-methyl-4-[(2-methylphenoxy)methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 82481944
6-[(E)-2-(4-bromophenyl)ethenyl]-4-(methoxymethyl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 6105196
4-(methoxymethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 17017817
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587349

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 96590800) is 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile is COCc1cc(N(C)C)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is XWPFPNKVXXKVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13(2)9-4-7(6-15-3)12-10(14)8(9)5-11/h4H,6H2,1-3H3,(H,12,14).
What are the key properties of 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-(methoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 96590800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).