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

C12H13N3O2S — CID 81439435

IUPAC5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccsc1CNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H13N3O2S/c1-7-2-3-18-10(7)6-15-11-9(13)4-8(5-14-11)12(16)17/h2-5H,6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyWPWRRYKNWYAMMS-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.34
Rot. Bonds4

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

5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 81439435) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID81439435
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccsc1CNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H13N3O2S/c1-7-2-3-18-10(7)6-15-11-9(13)4-8(5-14-11)12(16)17/h2-5H,6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyWPWRRYKNWYAMMS-UHFFFAOYSA-N
XLogP2.34
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81439609
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 114129018
5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81439673
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112726147
5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
CID 83115123
5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114126633
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328
4-methyl-3-[(3-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 112726216
5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81439291

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid (CID 81439435) is 5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid is Cc1ccsc1CNc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is WPWRRYKNWYAMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-2-3-18-10(7)6-15-11-9(13)4-8(5-14-11)12(16)17/h2-5H,6,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid?
5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).