4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid

C15H18N2O2S — CID 81233505

IUPAC4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NC(C)c2cc(C)sc2C)c(C(=O)O)cn1
InChIInChI=1S/C15H18N2O2S/c1-8-5-14(13(7-16-8)15(18)19)17-10(3)12-6-9(2)20-11(12)4/h5-7,10H,1-4H3,(H,16,17)(H,18,19)
InChIKeyGZXGCTGYRNYDNB-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.94
Rot. Bonds4

About 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid

4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81233505) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID81233505
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NC(C)c2cc(C)sc2C)c(C(=O)O)cn1
InChIInChI=1S/C15H18N2O2S/c1-8-5-14(13(7-16-8)15(18)19)17-10(3)12-6-9(2)20-11(12)4/h5-7,10H,1-4H3,(H,16,17)(H,18,19)
InChIKeyGZXGCTGYRNYDNB-UHFFFAOYSA-N
XLogP3.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
4-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 106345794
2-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluorobenzoic acid
CID 107540043
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
5-amino-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 81440054
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
2-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzoic acid
CID 107281803
3-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzoic acid
CID 82801714
5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid
CID 146143160
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81244858

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid (CID 81233505) is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid is Cc1cc(NC(C)c2cc(C)sc2C)c(C(=O)O)cn1.
What is the InChIKey of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is GZXGCTGYRNYDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-8-5-14(13(7-16-8)15(18)19)17-10(3)12-6-9(2)20-11(12)4/h5-7,10H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid?
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).