1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile

C12H10N2O2 — CID 82113564

IUPAC1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccn(Cc2ccco2)c(=O)c1C#N
InChIInChI=1S/C12H10N2O2/c1-9-4-5-14(12(15)11(9)7-13)8-10-3-2-6-16-10/h2-6H,8H2,1H3
InChIKeyODORPACVCURPQV-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.67
Rot. Bonds2

About 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile

1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 82113564) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID82113564
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccn(Cc2ccco2)c(=O)c1C#N
InChIInChI=1S/C12H10N2O2/c1-9-4-5-14(12(15)11(9)7-13)8-10-3-2-6-16-10/h2-6H,8H2,1H3
InChIKeyODORPACVCURPQV-UHFFFAOYSA-N
XLogP1.67
TPSA58.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
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4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile
CID 75505849
4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile
CID 86795241
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 75523006
4-methyl-2-oxo-1-(3-propan-2-ylsulfonylpropyl)pyridine-3-carbonitrile
CID 75477706
4-amino-1-benzyl-2-oxopyridine-3-carbonitrile
CID 794120
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18267560
5-[(3,4-dimethylphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668319
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-5-(naphthalen-1-yldiazenyl)-6-oxopyridine-3-carbonitrile
CID 135835481
1-(furan-2-ylmethyl)-2-hydroxy-4-methyl-6-oxo-5-[(4-phenylphenyl)diazenyl]pyridine-3-carbonitrile
CID 135835287
4-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
CID 58799127

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 82113564) is 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile is Cc1ccn(Cc2ccco2)c(=O)c1C#N.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ODORPACVCURPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9-4-5-14(12(15)11(9)7-13)8-10-3-2-6-16-10/h2-6H,8H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile?
1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 214.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82113564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).