6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide

C20H21N3O5 — CID 6879573

IUPAC6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C20H21N3O5/c1-25-14-6-5-13-9-16(22-15(13)10-14)20(24)23-21-11-12-7-17(26-2)19(28-4)18(8-12)27-3/h5-11,22H,1-4H3,(H,23,24)/b21-11+
InChIKeyRDDFGQILXNBRAI-SRZZPIQSSA-N
MW383.40 g/mol
LogP2.97
Rot. Bonds7

About 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide

6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 6879573) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID6879573
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C20H21N3O5/c1-25-14-6-5-13-9-16(22-15(13)10-14)20(24)23-21-11-12-7-17(26-2)19(28-4)18(8-12)27-3/h5-11,22H,1-4H3,(H,23,24)/b21-11+
InChIKeyRDDFGQILXNBRAI-SRZZPIQSSA-N
XLogP2.97
TPSA94.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide (CID 6879573) is 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is RDDFGQILXNBRAI-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-25-14-6-5-13-9-16(22-15(13)10-14)20(24)23-21-11-12-7-17(26-2)19(28-4)18(8-12)27-3/h5-11,22H,1-4H3,(H,23,24)/b21-11+.
What are the key properties of 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 6879573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).