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

C14H17N3OS — CID 47026748

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
SMILESCN(C)c1ccc(CNC(=O)Cc2cccs2)cn1
InChIInChI=1S/C14H17N3OS/c1-17(2)13-6-5-11(9-15-13)10-16-14(18)8-12-4-3-7-19-12/h3-7,9H,8,10H2,1-2H3,(H,16,18)
InChIKeyYQWHOSNIDUNNQX-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.07
Rot. Bonds5

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

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 47026748) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
PubChem CID47026748
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
SMILESCN(C)c1ccc(CNC(=O)Cc2cccs2)cn1
InChIInChI=1S/C14H17N3OS/c1-17(2)13-6-5-11(9-15-13)10-16-14(18)8-12-4-3-7-19-12/h3-7,9H,8,10H2,1-2H3,(H,16,18)
InChIKeyYQWHOSNIDUNNQX-UHFFFAOYSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850314
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119850298
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55620905
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011981

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide (CID 47026748) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide is CN(C)c1ccc(CNC(=O)Cc2cccs2)cn1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is YQWHOSNIDUNNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17(2)13-6-5-11(9-15-13)10-16-14(18)8-12-4-3-7-19-12/h3-7,9H,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 47026748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).