4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid

C14H16N2O2S — CID 81244415

IUPAC4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCCc1ccsc1CNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-3-10-4-5-19-13(10)8-16-12-6-9(2)15-7-11(12)14(17)18/h4-7H,3,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXQBRYMOIHYQTEF-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.32
Rot. Bonds5

About 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid

4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81244415) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID81244415
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCCc1ccsc1CNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-3-10-4-5-19-13(10)8-16-12-6-9(2)15-7-11(12)14(17)18/h4-7H,3,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXQBRYMOIHYQTEF-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethylthiophen-2-yl)methylamino]-2-methylbenzoic acid
CID 81282547
6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81244511
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379
4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233545
3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 107062834
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81235154
6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244674
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
6-methyl-4-[(3-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244731
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 114170871
6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81244022

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid (CID 81244415) is 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid is CCc1ccsc1CNc1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is XQBRYMOIHYQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-10-4-5-19-13(10)8-16-12-6-9(2)15-7-11(12)14(17)18/h4-7H,3,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid?
4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).