N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine

C17H12N4 — CID 6899636

IUPACN-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine
SMILESC(=N/NC1=Nc2cccc3cccc1c23)\c1ccccn1
InChIInChI=1S/C17H12N4/c1-2-10-18-13(7-1)11-19-21-17-14-8-3-5-12-6-4-9-15(20-17)16(12)14/h1-11H,(H,20,21)/b19-11+
InChIKeyDNFFPBKFHTVMKK-YBFXNURJSA-N
MW272.31 g/mol
LogP3.25
Rot. Bonds2

About N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine

N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine (PubChem CID 6899636) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine
PubChem CID6899636
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC NameN-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine
SMILESC(=N/NC1=Nc2cccc3cccc1c23)\c1ccccn1
InChIInChI=1S/C17H12N4/c1-2-10-18-13(7-1)11-19-21-17-14-8-3-5-12-6-4-9-15(20-17)16(12)14/h1-11H,(H,20,21)/b19-11+
InChIKeyDNFFPBKFHTVMKK-YBFXNURJSA-N
XLogP3.25
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine?
The IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine (CID 6899636) is N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine.
What is the SMILES notation for N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine?
The canonical SMILES for N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine is C(=N/NC1=Nc2cccc3cccc1c23)\c1ccccn1.
What is the InChIKey of N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine?
The InChIKey is DNFFPBKFHTVMKK-YBFXNURJSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-10-18-13(7-1)11-19-21-17-14-8-3-5-12-6-4-9-15(20-17)16(12)14/h1-11H,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine?
N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine has a molecular weight of 272.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-2-ylmethylideneamino]benzo[cd]indol-2-amine is sourced from PubChem (CID 6899636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).