3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid

C13H14N2O3S — CID 103250605

IUPAC3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(CNCc2ccsc2C(=O)O)cn1
InChIInChI=1S/C13H14N2O3S/c1-18-11-3-2-9(7-15-11)6-14-8-10-4-5-19-12(10)13(16)17/h2-5,7,14H,6,8H2,1H3,(H,16,17)
InChIKeyZZEQACUEDVJNEA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.14
Rot. Bonds6

About 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid

3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 103250605) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
PubChem CID103250605
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCOc1ccc(CNCc2ccsc2C(=O)O)cn1
InChIInChI=1S/C13H14N2O3S/c1-18-11-3-2-9(7-15-11)6-14-8-10-4-5-19-12(10)13(16)17/h2-5,7,14H,6,8H2,1H3,(H,16,17)
InChIKeyZZEQACUEDVJNEA-UHFFFAOYSA-N
XLogP2.14
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103231846
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
CID 103230956
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321
2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 62994376
3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 166263879
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 54977668
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid
CID 105061587
3-[(2-methylbutylamino)methyl]thiophene-2-carboxylic acid
CID 103249040
3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
CID 104998708

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid (CID 103250605) is 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid is COc1ccc(CNCc2ccsc2C(=O)O)cn1.
What is the InChIKey of 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is ZZEQACUEDVJNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-18-11-3-2-9(7-15-11)6-14-8-10-4-5-19-12(10)13(16)17/h2-5,7,14H,6,8H2,1H3,(H,16,17).
What are the key properties of 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid?
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103250605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).