5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid

C13H15N3O2S — CID 81439113

IUPAC5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCC(c1cccs1)N(C)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H15N3O2S/c1-8(11-4-3-5-19-11)16(2)12-10(14)6-9(7-15-12)13(17)18/h3-8H,14H2,1-2H3,(H,17,18)
InChIKeyMFGFEOGCSAVVNM-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.62
Rot. Bonds4

About 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid

5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81439113) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
PubChem CID81439113
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCC(c1cccs1)N(C)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H15N3O2S/c1-8(11-4-3-5-19-11)16(2)12-10(14)6-9(7-15-12)13(17)18/h3-8H,14H2,1-2H3,(H,17,18)
InChIKeyMFGFEOGCSAVVNM-UHFFFAOYSA-N
XLogP2.62
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 81446929
3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 104506605
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114194969
5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid
CID 80631787
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80804482
6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54981127
4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81243871
4-amino-N-methyl-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 55041564
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
CID 81439195
5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
CID 62516387
5-amino-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 106917773

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid (CID 81439113) is 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid is CC(c1cccs1)N(C)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is MFGFEOGCSAVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8(11-4-3-5-19-11)16(2)12-10(14)6-9(7-15-12)13(17)18/h3-8H,14H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).