3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid

C13H14N2O2S — CID 63069142

IUPAC3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccsc1)Cc1cccnc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-15(7-10-4-6-18-9-10)8-11-3-2-5-14-12(11)13(16)17/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyRIRRGQZQQXGREX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.47
Rot. Bonds5

About 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid

3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 63069142) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID63069142
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1ccsc1)Cc1cccnc1C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-15(7-10-4-6-18-9-10)8-11-3-2-5-14-12(11)13(16)17/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyRIRRGQZQQXGREX-UHFFFAOYSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893438
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068120
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893526
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146900
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615237
2-amino-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]benzoic acid
CID 104824331
3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid
CID 104739616
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 55179540
3-[2-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76908228
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63640383

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid (CID 63069142) is 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid is CN(Cc1ccsc1)Cc1cccnc1C(=O)O.
What is the InChIKey of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is RIRRGQZQQXGREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(7-10-4-6-18-9-10)8-11-3-2-5-14-12(11)13(16)17/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63069142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).