N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide

C21H23N3O4 — CID 69335099

IUPACN-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2c(C(=O)/N=C/N(C)C)[nH]c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C21H23N3O4/c1-24(2)12-22-21(25)20-19(13-6-8-14(26-3)9-7-13)15-10-17(27-4)18(28-5)11-16(15)23-20/h6-12,23H,1-5H3/b22-12+
InChIKeyAGJPJYIUJKCZIX-WSDLNYQXSA-N
MW381.43 g/mol
LogP3.59
Rot. Bonds6

About N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide

N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide (PubChem CID 69335099) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide
PubChem CID69335099
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(-c2c(C(=O)/N=C/N(C)C)[nH]c3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C21H23N3O4/c1-24(2)12-22-21(25)20-19(13-6-8-14(26-3)9-7-13)15-10-17(27-4)18(28-5)11-16(15)23-20/h6-12,23H,1-5H3/b22-12+
InChIKeyAGJPJYIUJKCZIX-WSDLNYQXSA-N
XLogP3.59
TPSA76.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethoxy-3-phenyl-1H-indole-2-carboxamide
CID 11522202
ethane;ethyl 3-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]propanoate
CID 143448184
methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
[2-methoxy-4-[[(5-methoxy-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 126403190
2-[3-(4-bromophenyl)-4,6-dimethoxy-1H-indol-2-yl]-N,N-dimethyl-2-oxoacetamide
CID 102085343
2-[5-methoxy-3-(4-methoxyphenyl)-6-methyl-1H-indol-2-yl]-1,3,4-oxadiazole
CID 143448212
methyl 3-(1H-indol-2-yl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 86006540
[6-methoxy-3,7-bis(4-methoxyphenyl)-1H-indol-2-yl]-(4-methoxyphenyl)methanone
CID 71723332
3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
CID 6954124
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine
CID 19032350
ethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate
CID 10660135
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide (CID 69335099) is N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide is COc1ccc(-c2c(C(=O)/N=C/N(C)C)[nH]c3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is AGJPJYIUJKCZIX-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-24(2)12-22-21(25)20-19(13-6-8-14(26-3)9-7-13)15-10-17(27-4)18(28-5)11-16(15)23-20/h6-12,23H,1-5H3/b22-12+.
What are the key properties of N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide?
N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 69335099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).