N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide

C16H13N3O2 — CID 136661289

IUPACN-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C\c1ccccc1O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13N3O2/c20-15-8-4-1-5-11(15)9-18-19-16(21)13-10-17-14-7-3-2-6-12(13)14/h1-10,17,20H,(H,19,21)/b18-9-
InChIKeyNTYGCNKFMQWGJQ-NVMNQCDNSA-N
MW279.30 g/mol
LogP2.64
Rot. Bonds3

About N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 136661289) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID136661289
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C\c1ccccc1O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13N3O2/c20-15-8-4-1-5-11(15)9-18-19-16(21)13-10-17-14-7-3-2-6-12(13)14/h1-10,17,20H,(H,19,21)/b18-9-
InChIKeyNTYGCNKFMQWGJQ-NVMNQCDNSA-N
XLogP2.64
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329554
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
CID 42991298
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 135492206
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
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
CID 137104191
methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate
CID 11588540

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide (CID 136661289) is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C\c1ccccc1O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is NTYGCNKFMQWGJQ-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15-8-4-1-5-11(15)9-18-19-16(21)13-10-17-14-7-3-2-6-12(13)14/h1-10,17,20H,(H,19,21)/b18-9-.
What are the key properties of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 136661289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).