3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide

C19H16ClN3O4 — CID 78110792

IUPAC3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cccc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1
InChIInChI=1S/C19H16ClN3O4/c20-12-6-9-16(22-10-12)27-13-7-4-11(5-8-13)14-2-1-3-15(23-14)17(24)18(25)19(21)26/h1-10,17-18,24-25H,(H2,21,26)
InChIKeyABLPGMWCKMKLON-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.47
Rot. Bonds6

About 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide

3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (PubChem CID 78110792) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
PubChem CID78110792
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cccc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1
InChIInChI=1S/C19H16ClN3O4/c20-12-6-9-16(22-10-12)27-13-7-4-11(5-8-13)14-2-1-3-15(23-14)17(24)18(25)19(21)26/h1-10,17-18,24-25H,(H2,21,26)
InChIKeyABLPGMWCKMKLON-UHFFFAOYSA-N
XLogP2.47
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]propanamide
CID 71553523
(2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 71555904
(2R,3S)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 71555905
(2R,3S)-2,3-dihydroxy-3-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridin-2-yl]propanamide
CID 71556803
(2S,3R)-3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 71556864
(2R,3S)-3-[6-[4-(4-cyanophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 71556865
(2S,3R)-2,3-dihydroxy-3-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyridin-2-yl]propanamide
CID 71556866
1-[6-[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyridin-2-yl]ethane-1,2-diol
CID 56943310
(2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 71556804
(2R,3S)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 71556805
(2R,3S)-2,3-dihydroxy-3-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyridin-2-yl]propanamide
CID 71556867
(2S,3R)-3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 71556868

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (CID 78110792) is 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cccc(-c2ccc(Oc3ccc(Cl)cn3)cc2)n1.
What is the InChIKey of 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The InChIKey is ABLPGMWCKMKLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c20-12-6-9-16(22-10-12)27-13-7-4-11(5-8-13)14-2-1-3-15(23-14)17(24)18(25)19(21)26/h1-10,17-18,24-25H,(H2,21,26).
What are the key properties of 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide has a molecular weight of 385.81 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 78110792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).