(3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine

C18H13N5 — CID 6362174

IUPAC(3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine
SMILESc1ccc(/N=C2\N=C(Nc3ccccn3)c3ccccc32)nc1
InChIInChI=1S/C18H13N5/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,20,21,22,23)
InChIKeyBSMBZDDPUMOQPJ-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.43
Rot. Bonds2

About (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine

(3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine (PubChem CID 6362174) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine.

Molecular Properties

Compound Name(3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine
PubChem CID6362174
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name(3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine
SMILESc1ccc(/N=C2\N=C(Nc3ccccn3)c3ccccc32)nc1
InChIInChI=1S/C18H13N5/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,20,21,22,23)
InChIKeyBSMBZDDPUMOQPJ-UHFFFAOYSA-N
XLogP3.43
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine?
The IUPAC name of (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine (CID 6362174) is (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine.
What is the SMILES notation for (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine?
The canonical SMILES for (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine is c1ccc(/N=C2\N=C(Nc3ccccn3)c3ccccc32)nc1.
What is the InChIKey of (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine?
The InChIKey is BSMBZDDPUMOQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-8-14-13(7-1)17(21-15-9-3-5-11-19-15)23-18(14)22-16-10-4-6-12-20-16/h1-12H,(H,19,20,21,22,23).
What are the key properties of (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine?
(3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine has a molecular weight of 299.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-pyridin-2-yl-3-pyridin-2-yliminoisoindol-1-amine is sourced from PubChem (CID 6362174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).