2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid

C23H21N3O5 — CID 67342803

IUPAC2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H21N3O5/c27-22(16-6-9-21(24-15-16)26-10-12-30-13-11-26)25-20-14-18(7-8-19(20)23(28)29)31-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,25,27)(H,28,29)
InChIKeyFYJDQSUKPYJRTK-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.66
Rot. Bonds6

About 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid

2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid (PubChem CID 67342803) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid.

Molecular Properties

Compound Name2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid
PubChem CID67342803
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H21N3O5/c27-22(16-6-9-21(24-15-16)26-10-12-30-13-11-26)25-20-14-18(7-8-19(20)23(28)29)31-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,25,27)(H,28,29)
InChIKeyFYJDQSUKPYJRTK-UHFFFAOYSA-N
XLogP3.66
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid?
The IUPAC name of 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid (CID 67342803) is 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid.
What is the SMILES notation for 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid?
The canonical SMILES for 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid is O=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid?
The InChIKey is FYJDQSUKPYJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c27-22(16-6-9-21(24-15-16)26-10-12-30-13-11-26)25-20-14-18(7-8-19(20)23(28)29)31-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,25,27)(H,28,29).
What are the key properties of 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid?
2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid has a molecular weight of 419.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]-4-phenoxybenzoic acid is sourced from PubChem (CID 67342803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).