N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide

C16H12N4O3 — CID 6869897

IUPACN-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N4O3/c21-16(14-10-17-15-7-2-1-6-13(14)15)19-18-9-11-4-3-5-12(8-11)20(22)23/h1-10,17H,(H,19,21)/b18-9+
InChIKeyJXESNBIABDNWPC-GIJQJNRQSA-N
MW308.30 g/mol
LogP2.84
Rot. Bonds4

About N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6869897) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID6869897
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N4O3/c21-16(14-10-17-15-7-2-1-6-13(14)15)19-18-9-11-4-3-5-12(8-11)20(22)23/h1-10,17H,(H,19,21)/b18-9+
InChIKeyJXESNBIABDNWPC-GIJQJNRQSA-N
XLogP2.84
TPSA100.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide (CID 6869897) is N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is JXESNBIABDNWPC-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-16(14-10-17-15-7-2-1-6-13(14)15)19-18-9-11-4-3-5-12(8-11)20(22)23/h1-10,17H,(H,19,21)/b18-9+.
What are the key properties of N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6869897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).