N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide

C26H25N3O3 — CID 72539041

IUPACN-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
SMILESCN1CCC(N(C)C(=O)c2ccccc2-c2ccc(C=C3C(=O)Nc4ccccc43)o2)C1
InChIInChI=1S/C26H25N3O3/c1-28-14-13-17(16-28)29(2)26(31)21-9-4-3-8-20(21)24-12-11-18(32-24)15-22-19-7-5-6-10-23(19)27-25(22)30/h3-12,15,17H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyFNVHZXBNMHIRRK-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.22
Rot. Bonds4

About N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide

N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide (PubChem CID 72539041) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
PubChem CID72539041
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
SMILESCN1CCC(N(C)C(=O)c2ccccc2-c2ccc(C=C3C(=O)Nc4ccccc43)o2)C1
InChIInChI=1S/C26H25N3O3/c1-28-14-13-17(16-28)29(2)26(31)21-9-4-3-8-20(21)24-12-11-18(32-24)15-22-19-7-5-6-10-23(19)27-25(22)30/h3-12,15,17H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyFNVHZXBNMHIRRK-UHFFFAOYSA-N
XLogP4.22
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(1-methylpiperidin-3-yl)benzamide
CID 72538946
3-[[5-[6-[4-(dimethylamino)piperidine-1-carbonyl]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 72539075
2-chloro-N-(1-methylpiperidin-4-yl)-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190236
methyl 2-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 59190215
methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 72539022
3-[[5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 66771953
2-[5-[(E)-[4,6-dioxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126256229
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 71511474
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190154
5-chloro-3-[[5-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 72539134
2-[5-[(E)-[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
CID 2263787

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide?
The IUPAC name of N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide (CID 72539041) is N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide.
What is the SMILES notation for N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide?
The canonical SMILES for N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide is CN1CCC(N(C)C(=O)c2ccccc2-c2ccc(C=C3C(=O)Nc4ccccc43)o2)C1.
What is the InChIKey of N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide?
The InChIKey is FNVHZXBNMHIRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-28-14-13-17(16-28)29(2)26(31)21-9-4-3-8-20(21)24-12-11-18(32-24)15-22-19-7-5-6-10-23(19)27-25(22)30/h3-12,15,17H,13-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide?
N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpyrrolidin-3-yl)-2-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide is sourced from PubChem (CID 72539041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).