N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide

C12H13N3OS — CID 82344031

IUPACN-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESNCc1cccnc1NC(=O)Cc1cccs1
InChIInChI=1S/C12H13N3OS/c13-8-9-3-1-5-14-12(9)15-11(16)7-10-4-2-6-17-10/h1-6H,7-8,13H2,(H,14,15,16)
InChIKeyOEIPVIIEOUPRFU-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.78
Rot. Bonds4

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

N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide (PubChem CID 82344031) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
PubChem CID82344031
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
SMILESNCc1cccnc1NC(=O)Cc1cccs1
InChIInChI=1S/C12H13N3OS/c13-8-9-3-1-5-14-12(9)15-11(16)7-10-4-2-6-17-10/h1-6H,7-8,13H2,(H,14,15,16)
InChIKeyOEIPVIIEOUPRFU-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 110462769
2-amino-N-[3-(aminomethyl)-2-pyridinyl]acetamide
CID 83618855
N-(1-methylimidazol-2-yl)-2-thiophen-2-ylacetamide
CID 110472554
2-thiophen-2-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51090526
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 4188468
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
2-thiophen-2-yl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 47076133
N-(3-pyridin-2-ylpropyl)-2-thiophen-2-ylacetamide
CID 110660977
N-(4-methoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 75435246
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide (CID 82344031) is N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide is NCc1cccnc1NC(=O)Cc1cccs1.
What is the InChIKey of N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide?
The InChIKey is OEIPVIIEOUPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-8-9-3-1-5-14-12(9)15-11(16)7-10-4-2-6-17-10/h1-6H,7-8,13H2,(H,14,15,16).
What are the key properties of N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide?
N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide has a molecular weight of 247.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 82344031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).