N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide

C19H19N3O4 — CID 6894239

IUPACN-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)c(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-9-8-12(17(25-2)18(16)26-3)10-21-22-19(23)14-11-20-15-7-5-4-6-13(14)15/h4-11,20H,1-3H3,(H,22,23)/b21-10+
InChIKeyXBNSACDLNOYJHI-UFFVCSGVSA-N
MW353.38 g/mol
LogP2.96
Rot. Bonds6

About N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6894239) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID6894239
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)c(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-9-8-12(17(25-2)18(16)26-3)10-21-22-19(23)14-11-20-15-7-5-4-6-13(14)15/h4-11,20H,1-3H3,(H,22,23)/b21-10+
InChIKeyXBNSACDLNOYJHI-UFFVCSGVSA-N
XLogP2.96
TPSA84.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329554
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 3617184
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate
CID 11588540
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2172304
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
CID 42991298
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (CID 6894239) is N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is COc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)c(OC)c1OC.
What is the InChIKey of N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is XBNSACDLNOYJHI-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-16-9-8-12(17(25-2)18(16)26-3)10-21-22-19(23)14-11-20-15-7-5-4-6-13(14)15/h4-11,20H,1-3H3,(H,22,23)/b21-10+.
What are the key properties of N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6894239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).