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

C16H18N2O3 — CID 103243931

IUPAC2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
SMILESCC(C)Oc1ncccc1NCc1ccccc1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-11(2)21-15-14(8-5-9-17-15)18-10-12-6-3-4-7-13(12)16(19)20/h3-9,11,18H,10H2,1-2H3,(H,19,20)
InChIKeyVQLJTSGCEYPMLH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.18
Rot. Bonds6

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

2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid (PubChem CID 103243931) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
PubChem CID103243931
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
SMILESCC(C)Oc1ncccc1NCc1ccccc1C(=O)O
InChIInChI=1S/C16H18N2O3/c1-11(2)21-15-14(8-5-9-17-15)18-10-12-6-3-4-7-13(12)16(19)20/h3-9,11,18H,10H2,1-2H3,(H,19,20)
InChIKeyVQLJTSGCEYPMLH-UHFFFAOYSA-N
XLogP3.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]thiophene-2-carboxylic acid
CID 103243918
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
CID 103243905
2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 61375585
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
2-propan-2-yloxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 61373861
N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 106862466
N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 102615560
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid?
The IUPAC name of 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid (CID 103243931) is 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid is CC(C)Oc1ncccc1NCc1ccccc1C(=O)O.
What is the InChIKey of 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid?
The InChIKey is VQLJTSGCEYPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)21-15-14(8-5-9-17-15)18-10-12-6-3-4-7-13(12)16(19)20/h3-9,11,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid?
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid is sourced from PubChem (CID 103243931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).