4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid

C15H18N2O2S — CID 63883409

IUPAC4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)N(Cc1ccnc(C(=O)O)c1)Cc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-11(2)17(10-13-4-3-7-20-13)9-12-5-6-16-14(8-12)15(18)19/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyMUDJOSIPFDJJJS-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.25
Rot. Bonds6

About 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid

4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 63883409) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID63883409
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCC(C)N(Cc1ccnc(C(=O)O)c1)Cc1cccs1
InChIInChI=1S/C15H18N2O2S/c1-11(2)17(10-13-4-3-7-20-13)9-12-5-6-16-14(8-12)15(18)19/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyMUDJOSIPFDJJJS-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzoic acid
CID 106699173
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730228
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 61451664
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974264
4-[[methyl(3-methylbutyl)amino]methyl]pyridine-2-carboxylic acid
CID 63881450
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411
[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 54946484
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60738646
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 63883391
5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63582957

Frequently Asked Questions

What is the IUPAC name of 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid (CID 63883409) is 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid is CC(C)N(Cc1ccnc(C(=O)O)c1)Cc1cccs1.
What is the InChIKey of 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is MUDJOSIPFDJJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(2)17(10-13-4-3-7-20-13)9-12-5-6-16-14(8-12)15(18)19/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid?
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63883409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).