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

C16H13N3O3 — CID 137014970

IUPACN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13N3O3/c20-14-7-3-5-11(15(14)21)9-17-19-16(22)13-8-10-4-1-2-6-12(10)18-13/h1-9,18,20-21H,(H,19,22)/b17-9+
InChIKeyGKFJIOWZSUMZDZ-RQZCQDPDSA-N
MW295.30 g/mol
LogP2.34
Rot. Bonds3

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

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 137014970) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID137014970
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13N3O3/c20-14-7-3-5-11(15(14)21)9-17-19-16(22)13-8-10-4-1-2-6-12(10)18-13/h1-9,18,20-21H,(H,19,22)/b17-9+
InChIKeyGKFJIOWZSUMZDZ-RQZCQDPDSA-N
XLogP2.34
TPSA97.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide
CID 175137572
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 136792678
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 135421615
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
5-ethoxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 136792738
1-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 135883000
4,5-dibromo-N-[(2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 152771822
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide
CID 135645713
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 156600169
5-chloro-N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 137279395
N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 2018531

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide (CID 137014970) is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide is O=C(N/N=C/c1cccc(O)c1O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is GKFJIOWZSUMZDZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-14-7-3-5-11(15(14)21)9-17-19-16(22)13-8-10-4-1-2-6-12(10)18-13/h1-9,18,20-21H,(H,19,22)/b17-9+.
What are the key properties of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide?
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 137014970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).