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

C24H17N3O4 — CID 3270102

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccncc2)C1c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C24H17N3O4/c28-22(19-12-16-4-1-2-6-18(16)31-19)20-21(17-5-3-9-26-13-17)27(24(30)23(20)29)14-15-7-10-25-11-8-15/h1-13,21,29H,14H2
InChIKeyBLNBKOKOTCVDKB-UHFFFAOYSA-N
MW411.42 g/mol
LogP4.00
Rot. Bonds5

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

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 3270102) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
PubChem CID3270102
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccncc2)C1c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C24H17N3O4/c28-22(19-12-16-4-1-2-6-18(16)31-19)20-21(17-5-3-9-26-13-17)27(24(30)23(20)29)14-15-7-10-25-11-8-15/h1-13,21,29H,14H2
InChIKeyBLNBKOKOTCVDKB-UHFFFAOYSA-N
XLogP4.00
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (CID 3270102) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccncc2)C1c1cccnc1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is BLNBKOKOTCVDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c28-22(19-12-16-4-1-2-6-18(16)31-19)20-21(17-5-3-9-26-13-17)27(24(30)23(20)29)14-15-7-10-25-11-8-15/h1-13,21,29H,14H2.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 411.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3270102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).