6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide

C12H12ClN3OS — CID 62842868

IUPAC6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(N)c(Cl)c1)c1ccsc1
InChIInChI=1S/C12H12ClN3OS/c1-7(8-2-3-18-6-8)16-12(17)9-4-10(13)11(14)15-5-9/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyRKESNWLTEIESAP-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.87
Rot. Bonds3

About 6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide

6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide (PubChem CID 62842868) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
PubChem CID62842868
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(N)c(Cl)c1)c1ccsc1
InChIInChI=1S/C12H12ClN3OS/c1-7(8-2-3-18-6-8)16-12(17)9-4-10(13)11(14)15-5-9/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyRKESNWLTEIESAP-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

3-amino-4-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840598
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141
4-amino-2-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840251
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
3-amino-5-methoxy-N-(1-thiophen-3-ylethyl)benzamide
CID 81091006
3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide
CID 114038489
3-amino-N-(1-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 104742232
6-amino-N-(1-thiophen-3-ylethyl)pyridazine-3-carboxamide
CID 62844280
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide (CID 62842868) is 6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide is CC(NC(=O)c1cnc(N)c(Cl)c1)c1ccsc1.
What is the InChIKey of 6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide?
The InChIKey is RKESNWLTEIESAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7(8-2-3-18-6-8)16-12(17)9-4-10(13)11(14)15-5-9/h2-7H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide?
6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-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-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62842868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).