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

C12H13N3OS — CID 62844800

IUPAC6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(N)n1)c1ccsc1
InChIInChI=1S/C12H13N3OS/c1-8(9-5-6-17-7-9)14-12(16)10-3-2-4-11(13)15-10/h2-8H,1H3,(H2,13,15)(H,14,16)
InChIKeyKWPHOBASPQYFHZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.22
Rot. Bonds3

About 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide

6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide (PubChem CID 62844800) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
PubChem CID62844800
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cccc(N)n1)c1ccsc1
InChIInChI=1S/C12H13N3OS/c1-8(9-5-6-17-7-9)14-12(16)10-3-2-4-11(13)15-10/h2-8H,1H3,(H2,13,15)(H,14,16)
InChIKeyKWPHOBASPQYFHZ-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

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-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 104742232
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 62239163
3-amino-N-(1-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 62840601
7-amino-N-(1-thiophen-3-ylethyl)-1H-indole-2-carboxamide
CID 63117832
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141
4-amino-1-methyl-N-(1-thiophen-3-ylethyl)pyrrole-2-carboxamide
CID 62841289
6-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-2-carboxamide
CID 79238480
6-amino-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 122572343

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide (CID 62844800) is 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide is CC(NC(=O)c1cccc(N)n1)c1ccsc1.
What is the InChIKey of 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide?
The InChIKey is KWPHOBASPQYFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(9-5-6-17-7-9)14-12(16)10-3-2-4-11(13)15-10/h2-8H,1H3,(H2,13,15)(H,14,16).
What are the key properties of 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide?
6-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 6-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62844800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).