2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide

C20H18N2OSe — CID 19898974

IUPAC2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccccc1[Se]Cc1ccccc1
InChIInChI=1S/C20H18N2OSe/c23-20(22-14-16-10-12-21-13-11-16)18-8-4-5-9-19(18)24-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,22,23)
InChIKeyLCHXQFGZHNRHKW-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.54
Rot. Bonds6

About 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide

2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 19898974) has the molecular formula C20H18N2OSe and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID19898974
Molecular FormulaC20H18N2OSe
Molecular Weight381.34 g/mol
Exact Mass382.06
IUPAC Name2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccccc1[Se]Cc1ccccc1
InChIInChI=1S/C20H18N2OSe/c23-20(22-14-16-10-12-21-13-11-16)18-8-4-5-9-19(18)24-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,22,23)
InChIKeyLCHXQFGZHNRHKW-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-(pyridin-4-ylmethylselanyl)benzamide
CID 19890959
N-benzyl-2-(pyridin-4-ylamino)benzamide
CID 24821329
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
N-pyridin-4-yl-2-(pyridin-3-ylmethylselanyl)benzamide;dihydrochloride
CID 19890947
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 63107619
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
2-(2-amino-2-sulfanylideneethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 82179158
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(dimethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 110299234
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463

Frequently Asked Questions

What is the IUPAC name of 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide (CID 19898974) is 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccccc1[Se]Cc1ccccc1.
What is the InChIKey of 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is LCHXQFGZHNRHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OSe/c23-20(22-14-16-10-12-21-13-11-16)18-8-4-5-9-19(18)24-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,22,23).
What are the key properties of 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide?
2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 381.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylselanyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 19898974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).