6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide

C16H21N3OS — CID 133351105

IUPAC6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(C)c2cc(C)sc2C)nc1
InChIInChI=1S/C16H21N3OS/c1-5-17-16(20)13-6-7-15(18-9-13)19-11(3)14-8-10(2)21-12(14)4/h6-9,11H,5H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyRSOPTEUMJYNYBI-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.68
Rot. Bonds5

About 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide

6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide (PubChem CID 133351105) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide
PubChem CID133351105
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(C)c2cc(C)sc2C)nc1
InChIInChI=1S/C16H21N3OS/c1-5-17-16(20)13-6-7-15(18-9-13)19-11(3)14-8-10(2)21-12(14)4/h6-9,11H,5H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyRSOPTEUMJYNYBI-UHFFFAOYSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133477615
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
2-[6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271947
N-ethyl-6-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 133345339
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133477603
5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 81440054
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-ethoxypyrimidin-4-amine
CID 66328796
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81233505
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136974890
N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
CID 133414835
4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]benzoic acid
CID 62217801

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide (CID 133351105) is 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(NC(C)c2cc(C)sc2C)nc1.
What is the InChIKey of 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide?
The InChIKey is RSOPTEUMJYNYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-5-17-16(20)13-6-7-15(18-9-13)19-11(3)14-8-10(2)21-12(14)4/h6-9,11H,5H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide?
6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 133351105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).