3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide

C12H13N3OS — CID 104742232

IUPAC3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1N)c1ccsc1
InChIInChI=1S/C12H13N3OS/c1-8(9-4-6-17-7-9)15-12(16)11-10(13)3-2-5-14-11/h2-8H,13H2,1H3,(H,15,16)
InChIKeyNWDAXKTUTZVJSN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.22
Rot. Bonds3

About 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide

3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide (PubChem CID 104742232) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
PubChem CID104742232
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ncccc1N)c1ccsc1
InChIInChI=1S/C12H13N3OS/c1-8(9-4-6-17-7-9)15-12(16)11-10(13)3-2-5-14-11/h2-8H,13H2,1H3,(H,15,16)
InChIKeyNWDAXKTUTZVJSN-UHFFFAOYSA-N
XLogP2.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(4-ethylphenyl)ethyl]pyridine-2-carboxamide
CID 104741215
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
3-amino-N-(1-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 62840601
6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 62844800
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 104741138
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
3-amino-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104742298
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104741328
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
CID 62844280
5-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107378186
2-(2-aminophenoxy)-N-(1-thiophen-3-ylethyl)acetamide
CID 62840774

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide (CID 104742232) is 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide is CC(NC(=O)c1ncccc1N)c1ccsc1.
What is the InChIKey of 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide?
The InChIKey is NWDAXKTUTZVJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(9-4-6-17-7-9)15-12(16)11-10(13)3-2-5-14-11/h2-8H,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide?
3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104742232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).