N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine

C17H12N4 — CID 6899631

IUPACN-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine
SMILESC(=N/NC1=Nc2cccc3cccc1c23)\c1cccnc1
InChIInChI=1S/C17H12N4/c1-5-13-6-2-8-15-16(13)14(7-1)17(20-15)21-19-11-12-4-3-9-18-10-12/h1-11H,(H,20,21)/b19-11+
InChIKeyJIMLXYXCMRNIKK-YBFXNURJSA-N
MW272.31 g/mol
LogP3.25
Rot. Bonds2

About N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine

N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine (PubChem CID 6899631) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine
PubChem CID6899631
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC NameN-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine
SMILESC(=N/NC1=Nc2cccc3cccc1c23)\c1cccnc1
InChIInChI=1S/C17H12N4/c1-5-13-6-2-8-15-16(13)14(7-1)17(20-15)21-19-11-12-4-3-9-18-10-12/h1-11H,(H,20,21)/b19-11+
InChIKeyJIMLXYXCMRNIKK-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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Related Compounds

CID 9620323
CID 9620323
CID 135425726
CID 135425726
CID 135455154
CID 135455154
CID 135472716
CID 135472716
CID 9947879
CID 9947879
CID 9994347
CID 9994347
CID 10380195
CID 10380195
CID 10402662
CID 10402662
CID 10450905
CID 10450905
CID 11723304
CID 11723304
CID 3659633
CID 3659633
CID 6899636
CID 6899636

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine?
The IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine (CID 6899631) is N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine.
What is the SMILES notation for N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine?
The canonical SMILES for N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine is C(=N/NC1=Nc2cccc3cccc1c23)\c1cccnc1.
What is the InChIKey of N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine?
The InChIKey is JIMLXYXCMRNIKK-YBFXNURJSA-N. The full InChI is InChI=1S/C17H12N4/c1-5-13-6-2-8-15-16(13)14(7-1)17(20-15)21-19-11-12-4-3-9-18-10-12/h1-11H,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-pyridin-3-ylmethylideneamino]benzo[cd]indol-2-amine?
N-[(E)-pyridin-3-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-3-ylmethylideneamino]benzo[cd]indol-2-amine is sourced from PubChem (CID 6899631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).