1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile

C18H12N2O3 — CID 164889120

IUPAC1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(-c2ccco2)c(C#N)c(=O)n1C(=O)c1ccccc1
InChIInChI=1S/C18H12N2O3/c1-12-10-14(16-8-5-9-23-16)15(11-19)18(22)20(12)17(21)13-6-3-2-4-7-13/h2-10H,1H3
InChIKeyNODKVCGQTMZXGP-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.98
Rot. Bonds2

About 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile

1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 164889120) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID164889120
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(-c2ccco2)c(C#N)c(=O)n1C(=O)c1ccccc1
InChIInChI=1S/C18H12N2O3/c1-12-10-14(16-8-5-9-23-16)15(11-19)18(22)20(12)17(21)13-6-3-2-4-7-13/h2-10H,1H3
InChIKeyNODKVCGQTMZXGP-UHFFFAOYSA-N
XLogP2.98
TPSA76.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile
CID 171984034
4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 134085846
5-cyano-4-(furan-2-yl)-6-methylpyridine-2-carboxamide
CID 134085841
1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82084066
5-cyano-2-(furan-2-yl)-3-methylbenzoic acid
CID 168528431
5-cyano-N-cyclopropyl-4-(furan-2-yl)-6-methylpyridine-2-carboxamide
CID 134085835
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-oxo-1-pyridinyl]oxan-2-yl]methyl acetate
CID 3005847
ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]sulfanyl]-3-oxobutanoate
CID 15359410
2-fluoro-6-(furan-2-yl)benzonitrile
CID 114898559
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71779741
4-[[3-cyano-4-(furan-2-yl)-6-methyl-2-pyridinyl]oxymethyl]benzoate
CID 59144022
4-[[3-cyano-4-(furan-2-yl)-6-(5-methylthiophen-2-yl)-2-pyridinyl]oxymethyl]benzoic acid
CID 57490623

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile (CID 164889120) is 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile is Cc1cc(-c2ccco2)c(C#N)c(=O)n1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is NODKVCGQTMZXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c1-12-10-14(16-8-5-9-23-16)15(11-19)18(22)20(12)17(21)13-6-3-2-4-7-13/h2-10H,1H3.
What are the key properties of 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile?
1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 304.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-(furan-2-yl)-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 164889120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).