4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide

C22H18N4 — CID 10042766

IUPAC4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/c2nc(-c3ccccn3)cc3ccccc23)cc1
InChIInChI=1S/C22H18N4/c1-15-9-11-16(12-10-15)21(23)26-22-18-7-3-2-6-17(18)14-20(25-22)19-8-4-5-13-24-19/h2-14H,1H3,(H2,23,25,26)
InChIKeyYHOZRVVIEBSKIN-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.64
Rot. Bonds3

About 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide

4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide (PubChem CID 10042766) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
PubChem CID10042766
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/c2nc(-c3ccccn3)cc3ccccc23)cc1
InChIInChI=1S/C22H18N4/c1-15-9-11-16(12-10-15)21(23)26-22-18-7-3-2-6-17(18)14-20(25-22)19-8-4-5-13-24-19/h2-14H,1H3,(H2,23,25,26)
InChIKeyYHOZRVVIEBSKIN-UHFFFAOYSA-N
XLogP4.64
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide?
The IUPAC name of 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide (CID 10042766) is 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide is Cc1ccc(/C(N)=N/c2nc(-c3ccccn3)cc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide?
The InChIKey is YHOZRVVIEBSKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-15-9-11-16(12-10-15)21(23)26-22-18-7-3-2-6-17(18)14-20(25-22)19-8-4-5-13-24-19/h2-14H,1H3,(H2,23,25,26).
What are the key properties of 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide?
4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide has a molecular weight of 338.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 10042766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).