2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid

C19H22N2O5 — CID 120528974

IUPAC2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCC(C)Oc1cccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C19H22N2O5/c1-13(2)26-17-5-3-4-16(21-17)19(24)20-11-10-14-6-8-15(9-7-14)25-12-18(22)23/h3-9,13H,10-12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyIGRGMTYWNAZNGG-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.30
Rot. Bonds9

About 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid

2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid (PubChem CID 120528974) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
PubChem CID120528974
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCC(C)Oc1cccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C19H22N2O5/c1-13(2)26-17-5-3-4-16(21-17)19(24)20-11-10-14-6-8-15(9-7-14)25-12-18(22)23/h3-9,13H,10-12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyIGRGMTYWNAZNGG-UHFFFAOYSA-N
XLogP2.30
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120515163
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255767
2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120529025
[6-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]-2-pyridinyl] hydrogen carbonate
CID 69132240
N-(2-hydroxypropyl)-6-propan-2-yloxypyridine-2-carboxamide
CID 109399314
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255833
5-[[(6-propan-2-yloxypyridine-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527206
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
2-N-[2-(4-fluorophenyl)ethyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093654
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid (CID 120528974) is 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid is CC(C)Oc1cccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid?
The InChIKey is IGRGMTYWNAZNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13(2)26-17-5-3-4-16(21-17)19(24)20-11-10-14-6-8-15(9-7-14)25-12-18(22)23/h3-9,13H,10-12H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid has a molecular weight of 358.39 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 120528974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).