2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid

C17H19N3O4 — CID 138038160

IUPAC2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid
SMILESCN(C(=O)c1cnc2n1CCCC2)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H19N3O4/c1-19(12-5-7-13(8-6-12)24-11-16(21)22)17(23)14-10-18-15-4-2-3-9-20(14)15/h5-8,10H,2-4,9,11H2,1H3,(H,21,22)
InChIKeyRONVPAVULPAMKU-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.96
Rot. Bonds5

About 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid

2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid (PubChem CID 138038160) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid
PubChem CID138038160
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid
SMILESCN(C(=O)c1cnc2n1CCCC2)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H19N3O4/c1-19(12-5-7-13(8-6-12)24-11-16(21)22)17(23)14-10-18-15-4-2-3-9-20(14)15/h5-8,10H,2-4,9,11H2,1H3,(H,21,22)
InChIKeyRONVPAVULPAMKU-UHFFFAOYSA-N
XLogP1.96
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid (CID 138038160) is 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid is CN(C(=O)c1cnc2n1CCCC2)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is RONVPAVULPAMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-19(12-5-7-13(8-6-12)24-11-16(21)22)17(23)14-10-18-15-4-2-3-9-20(14)15/h5-8,10H,2-4,9,11H2,1H3,(H,21,22).
What are the key properties of 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid?
2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 329.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 138038160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).