2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid

C20H22N2O5 — CID 120528988

IUPAC2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)c2ccnc(OC3CCC3)c2)cc1
InChIInChI=1S/C20H22N2O5/c23-19(24)13-26-16-6-4-14(5-7-16)8-10-22-20(25)15-9-11-21-18(12-15)27-17-2-1-3-17/h4-7,9,11-12,17H,1-3,8,10,13H2,(H,22,25)(H,23,24)
InChIKeyZJNZDUAZYSEQTJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.45
Rot. Bonds9

About 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid

2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid (PubChem CID 120528988) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
PubChem CID120528988
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)c2ccnc(OC3CCC3)c2)cc1
InChIInChI=1S/C20H22N2O5/c23-19(24)13-26-16-6-4-14(5-7-16)8-10-22-20(25)15-9-11-21-18(12-15)27-17-2-1-3-17/h4-7,9,11-12,17H,1-3,8,10,13H2,(H,22,25)(H,23,24)
InChIKeyZJNZDUAZYSEQTJ-UHFFFAOYSA-N
XLogP2.45
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 120529047
N-[2-(4-cyclopentyloxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788360
2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid
CID 120538082
2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255550
2-benzyl-3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]propanoic acid
CID 120525108
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid (CID 120528988) is 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid is O=C(O)COc1ccc(CCNC(=O)c2ccnc(OC3CCC3)c2)cc1.
What is the InChIKey of 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The InChIKey is ZJNZDUAZYSEQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-19(24)13-26-16-6-4-14(5-7-16)8-10-22-20(25)15-9-11-21-18(12-15)27-17-2-1-3-17/h4-7,9,11-12,17H,1-3,8,10,13H2,(H,22,25)(H,23,24).
What are the key properties of 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid has a molecular weight of 370.41 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 120528988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).