6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid

C15H18N2O2S — CID 106904746

IUPAC6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(CC(C)NCc2cccc(C(=O)O)n2)s1
InChIInChI=1S/C15H18N2O2S/c1-10(8-13-7-6-11(2)20-13)16-9-12-4-3-5-14(17-12)15(18)19/h3-7,10,16H,8-9H2,1-2H3,(H,18,19)
InChIKeyRZOPSVOBKUOQRV-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.87
Rot. Bonds6

About 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid

6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904746) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904746
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(CC(C)NCc2cccc(C(=O)O)n2)s1
InChIInChI=1S/C15H18N2O2S/c1-10(8-13-7-6-11(2)20-13)16-9-12-4-3-5-14(17-12)15(18)19/h3-7,10,16H,8-9H2,1-2H3,(H,18,19)
InChIKeyRZOPSVOBKUOQRV-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
3-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]benzoic acid
CID 103254218
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
CID 106904908
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668
6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904538
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904588
6-(2-hydroxypropyl)pyridine-2-carboxylic acid
CID 122637031
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid (CID 106904746) is 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid is Cc1ccc(CC(C)NCc2cccc(C(=O)O)n2)s1.
What is the InChIKey of 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is RZOPSVOBKUOQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(8-13-7-6-11(2)20-13)16-9-12-4-3-5-14(17-12)15(18)19/h3-7,10,16H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid?
6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).