N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide

C19H19N3OS — CID 113011981

IUPACN-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C19H19N3OS/c1-22(14-15-6-3-2-4-7-15)18-10-9-16(13-20-18)21-19(23)12-17-8-5-11-24-17/h2-11,13H,12,14H2,1H3,(H,21,23)
InChIKeyNZFMOSPBQKQXOA-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.96
Rot. Bonds6

About N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide

N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 113011981) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID113011981
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C19H19N3OS/c1-22(14-15-6-3-2-4-7-15)18-10-9-16(13-20-18)21-19(23)12-17-8-5-11-24-17/h2-11,13H,12,14H2,1H3,(H,21,23)
InChIKeyNZFMOSPBQKQXOA-UHFFFAOYSA-N
XLogP3.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011998
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 115268484
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011952
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350
tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
CID 113012011
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide
CID 113011955
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 46042185
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 113011981) is N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide is CN(Cc1ccccc1)c1ccc(NC(=O)Cc2cccs2)cn1.
What is the InChIKey of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is NZFMOSPBQKQXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-22(14-15-6-3-2-4-7-15)18-10-9-16(13-20-18)21-19(23)12-17-8-5-11-24-17/h2-11,13H,12,14H2,1H3,(H,21,23).
What are the key properties of N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 337.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113011981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).