N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide

C17H14N2OS — CID 4015400

IUPACN-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
SMILESO=C(NCc1ccccn1)c1cccc(-c2cccs2)c1
InChIInChI=1S/C17H14N2OS/c20-17(19-12-15-7-1-2-9-18-15)14-6-3-5-13(11-14)16-8-4-10-21-16/h1-11H,12H2,(H,19,20)
InChIKeySHAZZZNGXWUHHQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.74
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide

N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide (PubChem CID 4015400) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
PubChem CID4015400
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
SMILESO=C(NCc1ccccn1)c1cccc(-c2cccs2)c1
InChIInChI=1S/C17H14N2OS/c20-17(19-12-15-7-1-2-9-18-15)14-6-3-5-13(11-14)16-8-4-10-21-16/h1-11H,12H2,(H,19,20)
InChIKeySHAZZZNGXWUHHQ-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
N-[1-oxo-3-phenyl-1-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 60555253
2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 53199668
N-(pyridin-2-ylmethyl)-3-(1-thiophen-2-ylpentoxy)benzamide
CID 161213213
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide (CID 4015400) is N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide is O=C(NCc1ccccn1)c1cccc(-c2cccs2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide?
The InChIKey is SHAZZZNGXWUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(19-12-15-7-1-2-9-18-15)14-6-3-5-13(11-14)16-8-4-10-21-16/h1-11H,12H2,(H,19,20).
What are the key properties of N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide?
N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide has a molecular weight of 294.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide is sourced from PubChem (CID 4015400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).