N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide

C25H25N3O3Se — CID 46933087

IUPACN-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide
SMILESCc1[se]c(/C=C2\C(=O)Nc3cc(-c4ccc(O)cc4)ccc32)cc1C(=O)NCCN(C)C
InChIInChI=1S/C25H25N3O3Se/c1-15-21(24(30)26-10-11-28(2)3)13-19(32-15)14-22-20-9-6-17(12-23(20)27-25(22)31)16-4-7-18(29)8-5-16/h4-9,12-14,29H,10-11H2,1-3H3,(H,26,30)(H,27,31)/b22-14-
InChIKeyRLRHICABIJSJDN-HMAPJEAMSA-N
MW494.45 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide (PubChem CID 46933087) has the molecular formula C25H25N3O3Se and a molecular weight of 494.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide
PubChem CID46933087
Molecular FormulaC25H25N3O3Se
Molecular Weight494.45 g/mol
Exact Mass495.11
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide
SMILESCc1[se]c(/C=C2\C(=O)Nc3cc(-c4ccc(O)cc4)ccc32)cc1C(=O)NCCN(C)C
InChIInChI=1S/C25H25N3O3Se/c1-15-21(24(30)26-10-11-28(2)3)13-19(32-15)14-22-20-9-6-17(12-23(20)27-25(22)31)16-4-7-18(29)8-5-16/h4-9,12-14,29H,10-11H2,1-3H3,(H,26,30)(H,27,31)/b22-14-
InChIKeyRLRHICABIJSJDN-HMAPJEAMSA-N
XLogP3.21
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.45
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide (CID 46933087) is N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide is Cc1[se]c(/C=C2\C(=O)Nc3cc(-c4ccc(O)cc4)ccc32)cc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide?
The InChIKey is RLRHICABIJSJDN-HMAPJEAMSA-N. The full InChI is InChI=1S/C25H25N3O3Se/c1-15-21(24(30)26-10-11-28(2)3)13-19(32-15)14-22-20-9-6-17(12-23(20)27-25(22)31)16-4-7-18(29)8-5-16/h4-9,12-14,29H,10-11H2,1-3H3,(H,26,30)(H,27,31)/b22-14-.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide has a molecular weight of 494.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[(Z)-[6-(4-hydroxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methylselenophene-3-carboxamide is sourced from PubChem (CID 46933087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).