N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide

C17H15N3O3 — CID 118855494

IUPACN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)cc1O
InChIInChI=1S/C17H15N3O3/c1-23-16-7-6-11(8-15(16)21)10-18-20-17(22)14-9-12-4-2-3-5-13(12)19-14/h2-10,19,21H,1H3,(H,20,22)/b18-10+
InChIKeyLWLUJJYQXFNMPY-VCHYOVAHSA-N
MW309.33 g/mol
LogP2.65
Rot. Bonds4

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

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 118855494) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID118855494
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)cc1O
InChIInChI=1S/C17H15N3O3/c1-23-16-7-6-11(8-15(16)21)10-18-20-17(22)14-9-12-4-2-3-5-13(12)19-14/h2-10,19,21H,1H3,(H,20,22)/b18-10+
InChIKeyLWLUJJYQXFNMPY-VCHYOVAHSA-N
XLogP2.65
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.65
H-Bond Donors ≤ 53
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

5,6-dimethoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6889967
N-[(E)-(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 6890306
N'-[(E)-(4-fluorophenyl)methylidene]-5,6-dimethoxy-1H-indole-2-carbohydrazide
CID 9557764
N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
CID 135580822
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [1-(2-methyl-1H-indol-3-yl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-amide
CID 135614917
N-benzyl-N-ethyl-5,6-dimethoxy-1H-indole-2-carboxamide
CID 4899187
N-benzyl-5,6-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 4904384
5,6-dimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 4909132
4,5-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6878444
6-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6879573
5-ethoxy-N'-[(E)-(4-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
CID 6885106
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 6890547

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide (CID 118855494) is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide is COc1ccc(/C=N/NC(=O)c2cc3ccccc3[nH]2)cc1O.
What is the InChIKey of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is LWLUJJYQXFNMPY-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-16-7-6-11(8-15(16)21)10-18-20-17(22)14-9-12-4-2-3-5-13(12)19-14/h2-10,19,21H,1H3,(H,20,22)/b18-10+.
What are the key properties of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 118855494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).