2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide

C12H12ClN3OS — CID 106050315

IUPAC2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)s2)ccn1
InChIInChI=1S/C12H12ClN3OS/c13-10-2-1-9(18-10)4-6-16-12(17)8-3-5-15-11(14)7-8/h1-3,5,7H,4,6H2,(H2,14,15)(H,16,17)
InChIKeySGPUAVATKHDAKB-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide

2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 106050315) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID106050315
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCCc2ccc(Cl)s2)ccn1
InChIInChI=1S/C12H12ClN3OS/c13-10-2-1-9(18-10)4-6-16-12(17)8-3-5-15-11(14)7-8/h1-3,5,7H,4,6H2,(H2,14,15)(H,16,17)
InChIKeySGPUAVATKHDAKB-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 113236231
2-amino-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 62155665
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
CID 106033344
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114186911
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 106033230
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide (CID 106050315) is 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCCc2ccc(Cl)s2)ccn1.
What is the InChIKey of 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is SGPUAVATKHDAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-10-2-1-9(18-10)4-6-16-12(17)8-3-5-15-11(14)7-8/h1-3,5,7H,4,6H2,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide?
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 106050315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).