3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid

C13H14N2O2S — CID 103267005

IUPAC3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCc1cnccc1CNCc1ccsc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-9-6-14-4-2-10(9)7-15-8-11-3-5-18-12(11)13(16)17/h2-6,15H,7-8H2,1H3,(H,16,17)
InChIKeyYYSMVSKNQYBCQY-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.44
Rot. Bonds5

About 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid

3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 103267005) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
PubChem CID103267005
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCc1cnccc1CNCc1ccsc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-9-6-14-4-2-10(9)7-15-8-11-3-5-18-12(11)13(16)17/h2-6,15H,7-8H2,1H3,(H,16,17)
InChIKeyYYSMVSKNQYBCQY-UHFFFAOYSA-N
XLogP2.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylic acid
CID 114698811
N,N-dimethyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699849
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 114702177
3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 166263879
2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
CID 114699734
3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 106896733
N-[(4-bromothiophen-2-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698668
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249183
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103250605
3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
CID 103230956
N-ethyl-N-methyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699647
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid (CID 103267005) is 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid is Cc1cnccc1CNCc1ccsc1C(=O)O.
What is the InChIKey of 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is YYSMVSKNQYBCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-6-14-4-2-10(9)7-15-8-11-3-5-18-12(11)13(16)17/h2-6,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103267005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).