3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one

C19H18N2O5 — CID 646794

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C19H18N2O5/c22-17(14-6-3-9-26-14)15-16(12-4-1-7-20-10-12)21(19(24)18(15)23)11-13-5-2-8-25-13/h1,3-4,6-7,9-10,13,16,23H,2,5,8,11H2
InChIKeyBAFMZRSIUKAOJC-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.43
Rot. Bonds5

About 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 646794) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID646794
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1cccnc1)c1ccco1
InChIInChI=1S/C19H18N2O5/c22-17(14-6-3-9-26-14)15-16(12-4-1-7-20-10-12)21(19(24)18(15)23)11-13-5-2-8-25-13/h1,3-4,6-7,9-10,13,16,23H,2,5,8,11H2
InChIKeyBAFMZRSIUKAOJC-UHFFFAOYSA-N
XLogP2.43
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-Dimethoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3146599
5-(Pyridin-3-yl)furan-2-carbaldehyde
CID 12215260
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
4-(2-Furoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2909386
3-Hydroxy-4-(5-methyl-2-furoyl)-5-(3-phenoxyphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2911077
3-Hydroxy-5-(4-methoxyphenyl)-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2913061
N-[1-(2-phenylethyl)piperidin-4-yl]-N-(pyridin-3-yl)furan-2-carboxamide
CID 9885961
4-(2-Furoyl)-3-hydroxy-1-[3-(1H-imidazol-1-YL)propyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908630
4-(2-Furoyl)-3-HO-5-(3-nitro-PH)-1-(3-pyridinyl-ME)-1,5-dihydro-2H-pyrrol-2-one
CID 2910507
2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 2913480
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 645184
5-(3-Allyloxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-pyridin-4-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 646495

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 646794) is 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CC2CCCO2)C1c1cccnc1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is BAFMZRSIUKAOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-17(14-6-3-9-26-14)15-16(12-4-1-7-20-10-12)21(19(24)18(15)23)11-13-5-2-8-25-13/h1,3-4,6-7,9-10,13,16,23H,2,5,8,11H2.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 354.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 646794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).