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

C13H15N3OS — CID 115287220

IUPAC2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(CNC(=O)C(N)c2cccs2)cn1
InChIInChI=1S/C13H15N3OS/c1-9-4-5-10(7-15-9)8-16-13(17)12(14)11-3-2-6-18-11/h2-7,12H,8,14H2,1H3,(H,16,17)
InChIKeyPEJUQBDZPVZHMY-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.77
Rot. Bonds4

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

2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 115287220) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID115287220
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(CNC(=O)C(N)c2cccs2)cn1
InChIInChI=1S/C13H15N3OS/c1-9-4-5-10(7-15-9)8-16-13(17)12(14)11-3-2-6-18-11/h2-7,12H,8,14H2,1H3,(H,16,17)
InChIKeyPEJUQBDZPVZHMY-UHFFFAOYSA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 115287113
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287266
2-amino-N-(2-pyridin-3-ylethyl)-2-thiophen-2-ylacetamide
CID 113279110
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287476
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-2-phenylacetamide
CID 62995149
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide (CID 115287220) is 2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide is Cc1ccc(CNC(=O)C(N)c2cccs2)cn1.
What is the InChIKey of 2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is PEJUQBDZPVZHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-4-5-10(7-15-9)8-16-13(17)12(14)11-3-2-6-18-11/h2-7,12H,8,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide?
2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 261.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115287220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).