methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C25H30N4O6 — CID 2949827

IUPACmethyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccn2)c1C
InChIInChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-7-4-5-8-26-17)29(24(32)23(19)31)10-6-9-28-11-13-35-14-12-28/h4-5,7-8,21,27,30H,6,9-14H2,1-3H3
InChIKeyWSWZPSHPPBIJNU-UHFFFAOYSA-N
MW482.54 g/mol
LogP1.96
Rot. Bonds7

About methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 2949827) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID2949827
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Namemethyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccn2)c1C
InChIInChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-7-4-5-8-26-17)29(24(32)23(19)31)10-6-9-28-11-13-35-14-12-28/h4-5,7-8,21,27,30H,6,9-14H2,1-3H3
InChIKeyWSWZPSHPPBIJNU-UHFFFAOYSA-N
XLogP1.96
TPSA125.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 2949827) is methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccn2)c1C.
What is the InChIKey of methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is WSWZPSHPPBIJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-7-4-5-8-26-17)29(24(32)23(19)31)10-6-9-28-11-13-35-14-12-28/h4-5,7-8,21,27,30H,6,9-14H2,1-3H3.
What are the key properties of methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 482.54 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-2-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 2949827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).