5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide

C12H12ClN3OS — CID 66353786

IUPAC5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)Nc2ccsc2)cc1Cl
InChIInChI=1S/C12H12ClN3OS/c1-2-14-11-10(13)5-8(6-15-11)12(17)16-9-3-4-18-7-9/h3-7H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyMMCQAOSRQIQUTE-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.48
Rot. Bonds4

About 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide

5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 66353786) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide
PubChem CID66353786
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide
SMILESCCNc1ncc(C(=O)Nc2ccsc2)cc1Cl
InChIInChI=1S/C12H12ClN3OS/c1-2-14-11-10(13)5-8(6-15-11)12(17)16-9-3-4-18-7-9/h3-7H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyMMCQAOSRQIQUTE-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide
CID 66355264
N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62179840
5-chloro-6-(ethylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 62176197
5-chloro-6-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 62166153
N-(5-bromo-2-fluorophenyl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62168364
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
5-chloro-6-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071772
4-(ethylamino)-3-methyl-N-thiophen-3-ylbenzamide
CID 66354623
5-chloro-6-(ethylamino)-N-hexan-3-ylpyridine-3-carboxamide
CID 62179174
3-chloro-4-hydroxy-N-thiophen-3-ylbenzamide
CID 64988130
3-(ethylamino)-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070563
5-chloro-6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62171335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide (CID 66353786) is 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide is CCNc1ncc(C(=O)Nc2ccsc2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is MMCQAOSRQIQUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-2-14-11-10(13)5-8(6-15-11)12(17)16-9-3-4-18-7-9/h3-7H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide?
5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 66353786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).