N-(pyridin-4-ylmethoxy)carbazol-4-imine

C18H13N3O — CID 143388410

IUPACN-(pyridin-4-ylmethoxy)carbazol-4-imine
SMILESC1=CC(=NOCc2ccncc2)C2=c3ccccc3=NC2=C1
InChIInChI=1S/C18H13N3O/c1-2-5-15-14(4-1)18-16(20-15)6-3-7-17(18)21-22-12-13-8-10-19-11-9-13/h1-11H,12H2
InChIKeyIMKBNTABYSUUFC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.89
Rot. Bonds3

About N-(pyridin-4-ylmethoxy)carbazol-4-imine

N-(pyridin-4-ylmethoxy)carbazol-4-imine (PubChem CID 143388410) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(pyridin-4-ylmethoxy)carbazol-4-imine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethoxy)carbazol-4-imine
PubChem CID143388410
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC NameN-(pyridin-4-ylmethoxy)carbazol-4-imine
SMILESC1=CC(=NOCc2ccncc2)C2=c3ccccc3=NC2=C1
InChIInChI=1S/C18H13N3O/c1-2-5-15-14(4-1)18-16(20-15)6-3-7-17(18)21-22-12-13-8-10-19-11-9-13/h1-11H,12H2
InChIKeyIMKBNTABYSUUFC-UHFFFAOYSA-N
XLogP1.89
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
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-(pyridin-4-ylmethoxy)carbazol-4-imine?
The IUPAC name of N-(pyridin-4-ylmethoxy)carbazol-4-imine (CID 143388410) is N-(pyridin-4-ylmethoxy)carbazol-4-imine.
What is the SMILES notation for N-(pyridin-4-ylmethoxy)carbazol-4-imine?
The canonical SMILES for N-(pyridin-4-ylmethoxy)carbazol-4-imine is C1=CC(=NOCc2ccncc2)C2=c3ccccc3=NC2=C1.
What is the InChIKey of N-(pyridin-4-ylmethoxy)carbazol-4-imine?
The InChIKey is IMKBNTABYSUUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-2-5-15-14(4-1)18-16(20-15)6-3-7-17(18)21-22-12-13-8-10-19-11-9-13/h1-11H,12H2.
What are the key properties of N-(pyridin-4-ylmethoxy)carbazol-4-imine?
N-(pyridin-4-ylmethoxy)carbazol-4-imine has a molecular weight of 287.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethoxy)carbazol-4-imine is sourced from PubChem (CID 143388410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).