2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid

C17H20N2O3 — CID 167970694

IUPAC2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
SMILESCC(C)(C)Oc1ccccc1CNc1ncccc1C(=O)O
InChIInChI=1S/C17H20N2O3/c1-17(2,3)22-14-9-5-4-7-12(14)11-19-15-13(16(20)21)8-6-10-18-15/h4-10H,11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCAEYUTCIOSLZGI-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.57
Rot. Bonds5

About 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid

2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid (PubChem CID 167970694) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
PubChem CID167970694
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
SMILESCC(C)(C)Oc1ccccc1CNc1ncccc1C(=O)O
InChIInChI=1S/C17H20N2O3/c1-17(2,3)22-14-9-5-4-7-12(14)11-19-15-13(16(20)21)8-6-10-18-15/h4-10H,11H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCAEYUTCIOSLZGI-UHFFFAOYSA-N
XLogP3.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 107061768
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-2-carboxamide
CID 110444354
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 137455638
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
2-[(2-methoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632370
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid
CID 70203259

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid (CID 167970694) is 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid is CC(C)(C)Oc1ccccc1CNc1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid?
The InChIKey is CAEYUTCIOSLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2,3)22-14-9-5-4-7-12(14)11-19-15-13(16(20)21)8-6-10-18-15/h4-10H,11H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid?
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 167970694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).