5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide

C20H17BrN4O — CID 155569089

IUPAC5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide
SMILESCn1cc(/C=N\NC(=O)c2cn(C)c3ccc(Br)cc23)c2ccccc21
InChIInChI=1S/C20H17BrN4O/c1-24-11-13(15-5-3-4-6-18(15)24)10-22-23-20(26)17-12-25(2)19-8-7-14(21)9-16(17)19/h3-12H,1-2H3,(H,23,26)/b22-10-
InChIKeyCSPKXCRPKJBBKR-YVNNLAQVSA-N
MW409.29 g/mol
LogP4.20
Rot. Bonds3

About 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide

5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide (PubChem CID 155569089) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide
PubChem CID155569089
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide
SMILESCn1cc(/C=N\NC(=O)c2cn(C)c3ccc(Br)cc23)c2ccccc21
InChIInChI=1S/C20H17BrN4O/c1-24-11-13(15-5-3-4-6-18(15)24)10-22-23-20(26)17-12-25(2)19-8-7-14(21)9-16(17)19/h3-12H,1-2H3,(H,23,26)/b22-10-
InChIKeyCSPKXCRPKJBBKR-YVNNLAQVSA-N
XLogP4.20
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397335
2-(4-bromophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397610
8-Bromo-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 44384605
4-Bromo-benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135458690
3-(3-bromophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327708
2-(4-Bromo-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 13093669
8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 102167791
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 135439858
N'-(1H-pyrrol-2-ylmethylene)-1H-indole-3-carbohydrazide
CID 135475143
N'-[4-(diethylamino)benzylidene]-1H-indole-3-carbohydrazide
CID 6871904
1-(3-bromobenzyl)-1H-indole-3-carbaldehyde
CID 3293897
[3-(5-Bromo-1-methylindol-3-yl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 145986936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide?
The IUPAC name of 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide (CID 155569089) is 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide.
What is the SMILES notation for 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide?
The canonical SMILES for 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide is Cn1cc(/C=N\NC(=O)c2cn(C)c3ccc(Br)cc23)c2ccccc21.
What is the InChIKey of 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide?
The InChIKey is CSPKXCRPKJBBKR-YVNNLAQVSA-N. The full InChI is InChI=1S/C20H17BrN4O/c1-24-11-13(15-5-3-4-6-18(15)24)10-22-23-20(26)17-12-25(2)19-8-7-14(21)9-16(17)19/h3-12H,1-2H3,(H,23,26)/b22-10-.
What are the key properties of 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide?
5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide has a molecular weight of 409.29 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]indole-3-carboxamide is sourced from PubChem (CID 155569089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).