3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C23H23N3O4 — CID 3335106

IUPAC3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1
InChIInChI=1S/C23H23N3O4/c1-25(2)11-6-12-26-20(16-8-5-10-24-14-16)19(22(28)23(26)29)21(27)18-13-15-7-3-4-9-17(15)30-18/h3-5,7-10,13-14,20,28H,6,11-12H2,1-2H3
InChIKeyMYWXXENQVMWZFE-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.36
Rot. Bonds7

About 3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 3335106) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID3335106
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1
InChIInChI=1S/C23H23N3O4/c1-25(2)11-6-12-26-20(16-8-5-10-24-14-16)19(22(28)23(26)29)21(27)18-13-15-7-3-4-9-17(15)30-18/h3-5,7-10,13-14,20,28H,6,11-12H2,1-2H3
InChIKeyMYWXXENQVMWZFE-UHFFFAOYSA-N
XLogP3.36
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bradanicline
CID 25147644
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
5-(3,4-Dimethoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3146599
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 49848635
4-(2-Furoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2909386
4-(2-Benzofuranyl)pyridine
CID 65590
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
N'-(1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 2390945
N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 7677977
N,3,5-trimethyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 24791600

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 3335106) is 3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is MYWXXENQVMWZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-25(2)11-6-12-26-20(16-8-5-10-24-14-16)19(22(28)23(26)29)21(27)18-13-15-7-3-4-9-17(15)30-18/h3-5,7-10,13-14,20,28H,6,11-12H2,1-2H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 405.45 g/mol, XLogP of 3.36, 7 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)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 3335106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).