4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid

C15H18N2O2S — CID 61477361

IUPAC4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C15H18N2O2S/c1-8-7-9(2)16-14(13(8)15(18)19)17-11(4)12-6-5-10(3)20-12/h5-7,11H,1-4H3,(H,16,17)(H,18,19)
InChIKeyXVAUJJJNCMWKQT-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.94
Rot. Bonds4

About 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid

4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 61477361) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID61477361
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C15H18N2O2S/c1-8-7-9(2)16-14(13(8)15(18)19)17-11(4)12-6-5-10(3)20-12/h5-7,11H,1-4H3,(H,16,17)(H,18,19)
InChIKeyXVAUJJJNCMWKQT-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-(5-Allyl-6-methyl-2-(thiophen-3-yl)pyrimidin-4-ylamino)benzoic acid
CID 15950810
4-(5-Allyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-ylamino)benzoic acid
CID 54581120
4-(5-Allyl-6-methyl-2-(thiophen-2-yl)pyrimidin-4-ylamino)benzoic acid
CID 54585042
4-[5-amino-6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]thiophene-2-carboxylic acid
CID 72190139
2-(Propan-2-ylamino)-7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid
CID 97389807
2-[(3-Methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 112726150
2-[(3R*,4S*)-3-amino-4-propylpyrrolidin-1-yl]-6-methylnicotinic acid
CID 72842704
2-(Propan-2-ylamino)-7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 118745976
5-Cyano-4-[5-[(3,4-difluorophenyl)methylcarbamoyl]thiophen-2-yl]-2-[2-(4-fluorophenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 176209462
3-[[4-(6-Methyl-2-pyridyl)piperazine-1-carbonyl]amino]-5-phenyl-thiophene-2-carboxylic acid
CID 16074669
4,6-Dimethyl-2-methylaminonicotinic acid
CID 60678573
2-Ethylamino-4,6-dimethylnicotinic acid
CID 60678740

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid (CID 61477361) is 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(NC(C)c2ccc(C)s2)n1.
What is the InChIKey of 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is XVAUJJJNCMWKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-8-7-9(2)16-14(13(8)15(18)19)17-11(4)12-6-5-10(3)20-12/h5-7,11H,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-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 4,6-dimethyl-2-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61477361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).