N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide

C18H15N3OS — CID 51101128

IUPACN-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
SMILESO=C(NCc1ccccn1)c1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C18H15N3OS/c22-18(21-13-15-5-1-3-11-19-15)14-7-9-16(10-8-14)23-17-6-2-4-12-20-17/h1-12H,13H2,(H,21,22)
InChIKeyITEIYPOEMLEVBE-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.56
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide

N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide (PubChem CID 51101128) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
PubChem CID51101128
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
SMILESO=C(NCc1ccccn1)c1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C18H15N3OS/c22-18(21-13-15-5-1-3-11-19-15)14-7-9-16(10-8-14)23-17-6-2-4-12-20-17/h1-12H,13H2,(H,21,22)
InChIKeyITEIYPOEMLEVBE-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
4-azido-N-(pyridin-2-ylmethyl)benzamide
CID 19609018
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-pyridin-2-ylsulfanylbenzamide
CID 95318480
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide (CID 51101128) is N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide is O=C(NCc1ccccn1)c1ccc(Sc2ccccn2)cc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide?
The InChIKey is ITEIYPOEMLEVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-18(21-13-15-5-1-3-11-19-15)14-7-9-16(10-8-14)23-17-6-2-4-12-20-17/h1-12H,13H2,(H,21,22).
What are the key properties of N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide?
N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide has a molecular weight of 321.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide is sourced from PubChem (CID 51101128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).