N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide

C15H11BrN4O — CID 135439858

IUPACN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccccn1
InChIInChI=1S/C15H11BrN4O/c16-11-4-5-13-12(7-11)10(8-18-13)9-19-20-15(21)14-3-1-2-6-17-14/h1-9,18H,(H,20,21)/b19-9+
InChIKeyXNDSOINKFDFFCO-DJKKODMXSA-N
MW343.18 g/mol
LogP3.09
Rot. Bonds3

About N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 135439858) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID135439858
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccccn1
InChIInChI=1S/C15H11BrN4O/c16-11-4-5-13-12(7-11)10(8-18-13)9-19-20-15(21)14-3-1-2-6-17-14/h1-9,18H,(H,20,21)/b19-9+
InChIKeyXNDSOINKFDFFCO-DJKKODMXSA-N
XLogP3.09
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide (CID 135439858) is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccccn1.
What is the InChIKey of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is XNDSOINKFDFFCO-DJKKODMXSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-11-4-5-13-12(7-11)10(8-18-13)9-19-20-15(21)14-3-1-2-6-17-14/h1-9,18H,(H,20,21)/b19-9+.
What are the key properties of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 135439858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).