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

C13H15N3O2S — CID 81440150

IUPAC5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(C)Nc2ncc(C(=O)O)cc2N)s1
InChIInChI=1S/C13H15N3O2S/c1-7-3-4-11(19-7)8(2)16-12-10(14)5-9(6-15-12)13(17)18/h3-6,8H,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFNYZAKSJBUTMGK-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.91
Rot. Bonds4

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

5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 81440150) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID81440150
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(C)Nc2ncc(C(=O)O)cc2N)s1
InChIInChI=1S/C13H15N3O2S/c1-7-3-4-11(19-7)8(2)16-12-10(14)5-9(6-15-12)13(17)18/h3-6,8H,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFNYZAKSJBUTMGK-UHFFFAOYSA-N
XLogP2.91
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid (CID 81440150) is 5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid is Cc1ccc(C(C)Nc2ncc(C(=O)O)cc2N)s1.
What is the InChIKey of 5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is FNYZAKSJBUTMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-3-4-11(19-7)8(2)16-12-10(14)5-9(6-15-12)13(17)18/h3-6,8H,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid?
5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81440150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).