2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C24H23N3O4 — CID 3146598

IUPAC2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C24H23N3O4/c1-15-6-11-19(31-15)22(28)20-21(17-7-9-18(10-8-17)26(2)3)27(24(30)23(20)29)14-16-5-4-12-25-13-16/h4-13,21,29H,14H2,1-3H3
InChIKeyMRSBCQYVWDTQSW-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 3146598) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID3146598
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2ccc(N(C)C)cc2)o1
InChIInChI=1S/C24H23N3O4/c1-15-6-11-19(31-15)22(28)20-21(17-7-9-18(10-8-17)26(2)3)27(24(30)23(20)29)14-16-5-4-12-25-13-16/h4-13,21,29H,14H2,1-3H3
InChIKeyMRSBCQYVWDTQSW-UHFFFAOYSA-N
XLogP3.83
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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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
4-(2-Furoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2909386
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
(E)-furan-2-yl[2-(4-methylphenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene]methanolate
CID 3704657
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
(E)-[2-(2-fluorophenyl)-4,5-dioxo-1-(pyrimidin-1-ium-2-yl)pyrrolidin-3-ylidene](5-methylfuran-2-yl)methanolate
CID 3820161
5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 5295600
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
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 44634770
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 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 3146598) is 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)C2c2ccc(N(C)C)cc2)o1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is MRSBCQYVWDTQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-15-6-11-19(31-15)22(28)20-21(17-7-9-18(10-8-17)26(2)3)27(24(30)23(20)29)14-16-5-4-12-25-13-16/h4-13,21,29H,14H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 417.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3146598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).