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

C13H14N2O2S — CID 81243871

IUPAC4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCC(c1cccs1)N(C)c1ccncc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-9(12-4-3-7-18-12)15(2)11-5-6-14-8-10(11)13(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyLDUGDGXILORHBH-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.04
Rot. Bonds4

About 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid

4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid (PubChem CID 81243871) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
PubChem CID81243871
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
SMILESCC(c1cccs1)N(C)c1ccncc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-9(12-4-3-7-18-12)15(2)11-5-6-14-8-10(11)13(16)17/h3-9H,1-2H3,(H,16,17)
InChIKeyLDUGDGXILORHBH-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
CID 62516387
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114194969
6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54981127
4-(1-thiophen-2-ylpropylamino)pyridine-3-carboxylic acid
CID 81243701
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 56828599
5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81439113
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
4-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
CID 81244428
4-(N-aminoanilino)pyridine-3-carboxylic acid
CID 121009613
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
2-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 134796514

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid (CID 81243871) is 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid is CC(c1cccs1)N(C)c1ccncc1C(=O)O.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is LDUGDGXILORHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9(12-4-3-7-18-12)15(2)11-5-6-14-8-10(11)13(16)17/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid?
4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).