(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid

C23H22N2O6 — CID 23529310

IUPAC(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
SMILESCOc1cccc(Oc2ncccc2C(=O)NCc2ccc(O[C@H](C)C(=O)O)cc2)c1
InChIInChI=1S/C23H22N2O6/c1-15(23(27)28)30-17-10-8-16(9-11-17)14-25-21(26)20-7-4-12-24-22(20)31-19-6-3-5-18(13-19)29-2/h3-13,15H,14H2,1-2H3,(H,25,26)(H,27,28)/t15-/m1/s1
InChIKeyUNAILWSHMZYTQC-OAHLLOKOSA-N
MW422.44 g/mol
LogP3.66
Rot. Bonds9

About (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid

(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid (PubChem CID 23529310) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
PubChem CID23529310
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
SMILESCOc1cccc(Oc2ncccc2C(=O)NCc2ccc(O[C@H](C)C(=O)O)cc2)c1
InChIInChI=1S/C23H22N2O6/c1-15(23(27)28)30-17-10-8-16(9-11-17)14-25-21(26)20-7-4-12-24-22(20)31-19-6-3-5-18(13-19)29-2/h3-13,15H,14H2,1-2H3,(H,25,26)(H,27,28)/t15-/m1/s1
InChIKeyUNAILWSHMZYTQC-OAHLLOKOSA-N
XLogP3.66
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
N-[[4-[4-(1-amino-1-oxopropan-2-yl)oxy-2-fluorophenyl]phenyl]methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide
CID 10118366
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid (CID 23529310) is (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid is COc1cccc(Oc2ncccc2C(=O)NCc2ccc(O[C@H](C)C(=O)O)cc2)c1.
What is the InChIKey of (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid?
The InChIKey is UNAILWSHMZYTQC-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-15(23(27)28)30-17-10-8-16(9-11-17)14-25-21(26)20-7-4-12-24-22(20)31-19-6-3-5-18(13-19)29-2/h3-13,15H,14H2,1-2H3,(H,25,26)(H,27,28)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid?
(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid has a molecular weight of 422.44 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 23529310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).