2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid

C20H22N2O6 — CID 120538082

IUPAC2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid
SMILESCN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C20H22N2O6/c1-22(11-14-2-4-16(5-3-14)27-13-19(23)24)20(25)15-6-8-21-18(10-15)28-17-7-9-26-12-17/h2-6,8,10,17H,7,9,11-13H2,1H3,(H,23,24)
InChIKeyKDUZTPXXTFUEHF-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.98
Rot. Bonds8

About 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid

2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid (PubChem CID 120538082) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid
PubChem CID120538082
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid
SMILESCN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C20H22N2O6/c1-22(11-14-2-4-16(5-3-14)27-13-19(23)24)20(25)15-6-8-21-18(10-15)28-17-7-9-26-12-17/h2-6,8,10,17H,7,9,11-13H2,1H3,(H,23,24)
InChIKeyKDUZTPXXTFUEHF-UHFFFAOYSA-N
XLogP1.98
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528988
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617634
N-[3-(dimethylamino)propyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815235
2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 138043891
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(2,5-difluorophenyl)-N-methyl-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 97353319
(2S)-4-methyl-2-[[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120695356
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 126784792
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid (CID 120538082) is 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid is CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccnc(OC2CCOC2)c1.
What is the InChIKey of 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid?
The InChIKey is KDUZTPXXTFUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-22(11-14-2-4-16(5-3-14)27-13-19(23)24)20(25)15-6-8-21-18(10-15)28-17-7-9-26-12-17/h2-6,8,10,17H,7,9,11-13H2,1H3,(H,23,24).
What are the key properties of 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid?
2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid has a molecular weight of 386.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 120538082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).