(2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C24H25N3O4 — CID 6996687

IUPAC(2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1
InChIInChI=1S/C24H25N3O4/c1-3-26(4-2)12-13-27-21(17-9-7-11-25-15-17)20(23(29)24(27)30)22(28)19-14-16-8-5-6-10-18(16)31-19/h5-11,14-15,21,29H,3-4,12-13H2,1-2H3/t21-/m0/s1
InChIKeyHRPCARBJXGVSEC-NRFANRHFSA-N
MW419.48 g/mol
LogP3.75
Rot. Bonds8

About (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

(2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 6996687) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID6996687
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1
InChIInChI=1S/C24H25N3O4/c1-3-26(4-2)12-13-27-21(17-9-7-11-25-15-17)20(23(29)24(27)30)22(28)19-14-16-8-5-6-10-18(16)31-19/h5-11,14-15,21,29H,3-4,12-13H2,1-2H3/t21-/m0/s1
InChIKeyHRPCARBJXGVSEC-NRFANRHFSA-N
XLogP3.75
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.75
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
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
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
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
CID 16727410
CID 16727410

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 6996687) is (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1.
What is the InChIKey of (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is HRPCARBJXGVSEC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-26(4-2)12-13-27-21(17-9-7-11-25-15-17)20(23(29)24(27)30)22(28)19-14-16-8-5-6-10-18(16)31-19/h5-11,14-15,21,29H,3-4,12-13H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
(2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 419.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 6996687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).