1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile

C9H7N3O2 — CID 14837006

IUPAC1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile
SMILESCOc1ccn(CC#N)c(=O)c1C#N
InChIInChI=1S/C9H7N3O2/c1-14-8-2-4-12(5-3-10)9(13)7(8)6-11/h2,4H,5H2,1H3
InChIKeyGEFZOQXNIRJPPA-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.25
Rot. Bonds2

About 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile

1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile (PubChem CID 14837006) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile
PubChem CID14837006
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile
SMILESCOc1ccn(CC#N)c(=O)c1C#N
InChIInChI=1S/C9H7N3O2/c1-14-8-2-4-12(5-3-10)9(13)7(8)6-11/h2,4H,5H2,1H3
InChIKeyGEFZOQXNIRJPPA-UHFFFAOYSA-N
XLogP0.25
TPSA78.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ricinine
CID 10666
3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-
CID 2786702
Ricinine-d3
CID 71309804
3-Cyano-1-methyl-2-oxo-4-hydropyridyl acetate
CID 716149
4-Methoxy-1,3-dimethylpyridin-2-one
CID 15144235
N-ethyl-3-cyano-4-methoxy-2-pyridone
CID 129671190
4-Methoxy-2-oxo-1-(1,1,1-trifluoro-3-methylbutan-2-yl)-1,2-dihydropyridine-3-carbonitrile
CID 118690564
1-[(2,2-Difluorocyclopropyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile
CID 169962699
4-Methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile
CID 171437475
6-Chloro-4-methoxy-1-methyl-2-oxopyridine-3-carbonitrile
CID 179735
4-methoxy-1-methyl-2-oxo(2,3,4,5,6-13C5)pyridine-3-carbonitrile
CID 165361619
4-Ethoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 15767201

Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile (CID 14837006) is 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile is COc1ccn(CC#N)c(=O)c1C#N.
What is the InChIKey of 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
The InChIKey is GEFZOQXNIRJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-14-8-2-4-12(5-3-10)9(13)7(8)6-11/h2,4H,5H2,1H3.
What are the key properties of 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile?
1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile has a molecular weight of 189.17 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-4-methoxy-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 14837006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).