N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride

C18H17Cl2N3OSe — CID 19890935

IUPACN-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccncc1)c1ccccc1[Se]Cc1ccccn1
InChIInChI=1S/C18H15N3OSe.2ClH/c22-18(21-14-8-11-19-12-9-14)16-6-1-2-7-17(16)23-13-15-5-3-4-10-20-15;;/h1-12H,13H2,(H,19,21,22);2*1H
InChIKeySHUODMORXCJJGA-UHFFFAOYSA-N
MW441.22 g/mol
LogP3.10
Rot. Bonds5

About N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride

N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride (PubChem CID 19890935) has the molecular formula C18H17Cl2N3OSe and a molecular weight of 441.22 g/mol. Its IUPAC name is N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride
PubChem CID19890935
Molecular FormulaC18H17Cl2N3OSe
Molecular Weight441.22 g/mol
Exact Mass440.99
IUPAC NameN-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccncc1)c1ccccc1[Se]Cc1ccccn1
InChIInChI=1S/C18H15N3OSe.2ClH/c22-18(21-14-8-11-19-12-9-14)16-6-1-2-7-17(16)23-13-15-5-3-4-10-20-15;;/h1-12H,13H2,(H,19,21,22);2*1H
InChIKeySHUODMORXCJJGA-UHFFFAOYSA-N
XLogP3.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride?
The IUPAC name of N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride (CID 19890935) is N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride.
What is the SMILES notation for N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride?
The canonical SMILES for N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride is Cl.Cl.O=C(Nc1ccncc1)c1ccccc1[Se]Cc1ccccn1.
What is the InChIKey of N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride?
The InChIKey is SHUODMORXCJJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OSe.2ClH/c22-18(21-14-8-11-19-12-9-14)16-6-1-2-7-17(16)23-13-15-5-3-4-10-20-15;;/h1-12H,13H2,(H,19,21,22);2*1H.
What are the key properties of N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride?
N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride has a molecular weight of 441.22 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2-(pyridin-2-ylmethylselanyl)benzamide;dihydrochloride is sourced from PubChem (CID 19890935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).