3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid

C14H16N2O3S — CID 103243918

IUPAC3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)Oc1ncccc1NCc1ccsc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-9(2)19-13-11(4-3-6-15-13)16-8-10-5-7-20-12(10)14(17)18/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyODOJLAUQQCCIMI-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.24
Rot. Bonds6

About 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid

3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103243918) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID103243918
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)Oc1ncccc1NCc1ccsc1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-9(2)19-13-11(4-3-6-15-13)16-8-10-5-7-20-12(10)14(17)18/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyODOJLAUQQCCIMI-UHFFFAOYSA-N
XLogP3.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
CID 103243905
N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375574
2-propan-2-yloxy-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 61375576
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
3-[[(5-chloroquinolin-8-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103267146
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 61375585
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 106862466
N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379623
N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 102615560

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid (CID 103243918) is 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid is CC(C)Oc1ncccc1NCc1ccsc1C(=O)O.
What is the InChIKey of 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is ODOJLAUQQCCIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9(2)19-13-11(4-3-6-15-13)16-8-10-5-7-20-12(10)14(17)18/h3-7,9,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid?
3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103243918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).