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

C12H13N3OS — CID 115268484

IUPACN-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCNc1ccc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C12H13N3OS/c1-13-11-5-4-9(8-14-11)15-12(16)7-10-3-2-6-17-10/h2-6,8H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyNIACOCDENVZDIF-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.37
Rot. Bonds4

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

N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 115268484) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID115268484
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
SMILESCNc1ccc(NC(=O)Cc2cccs2)cn1
InChIInChI=1S/C12H13N3OS/c1-13-11-5-4-9(8-14-11)15-12(16)7-10-3-2-6-17-10/h2-6,8H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyNIACOCDENVZDIF-UHFFFAOYSA-N
XLogP2.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018323
N-[6-(pentylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113015222
N-[6-(cyclohexylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010070
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018213
N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113017744
N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113020325
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113026265
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 28901499
2-thiophen-2-yl-N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]acetamide
CID 113032823
N-[5-(3,5-dichloroanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036797

Frequently Asked Questions

What is the IUPAC name of N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide (CID 115268484) is N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide is CNc1ccc(NC(=O)Cc2cccs2)cn1.
What is the InChIKey of N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is NIACOCDENVZDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-13-11-5-4-9(8-14-11)15-12(16)7-10-3-2-6-17-10/h2-6,8H,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide?
N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 247.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115268484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).