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

C12H12ClN3OS — CID 62155473

IUPAC6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1nc(N)ccc1Cl)c1cccs1
InChIInChI=1S/C12H12ClN3OS/c1-7(9-3-2-6-18-9)15-12(17)11-8(13)4-5-10(14)16-11/h2-7H,1H3,(H2,14,16)(H,15,17)
InChIKeyBYHYHFGFNGZBGY-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.87
Rot. Bonds3

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

6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (PubChem CID 62155473) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
PubChem CID62155473
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1nc(N)ccc1Cl)c1cccs1
InChIInChI=1S/C12H12ClN3OS/c1-7(9-3-2-6-18-9)15-12(17)11-8(13)4-5-10(14)16-11/h2-7H,1H3,(H2,14,16)(H,15,17)
InChIKeyBYHYHFGFNGZBGY-UHFFFAOYSA-N
XLogP2.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459211
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CID 62234351
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
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6-amino-3-chloro-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 55257710
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CID 107183624
6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 106550862
6-amino-3-chloro-N-methylpyridine-2-carboxamide
CID 62156050
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
6-amino-3-chloro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62156560
6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113478192
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide (CID 62155473) is 6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is CC(NC(=O)c1nc(N)ccc1Cl)c1cccs1.
What is the InChIKey of 6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is BYHYHFGFNGZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7(9-3-2-6-18-9)15-12(17)11-8(13)4-5-10(14)16-11/h2-7H,1H3,(H2,14,16)(H,15,17).
What are the key properties of 6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide?
6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62155473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).