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

C19H16ClN3O4 — CID 71555904

IUPAC(2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESNC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(Cl)nc3)cc2)n1
InChIInChI=1S/C19H16ClN3O4/c20-16-9-8-13(10-22-16)27-12-6-4-11(5-7-12)14-2-1-3-15(23-14)17(24)18(25)19(21)26/h1-10,17-18,24-25H,(H2,21,26)/t17-,18+/m1/s1
InChIKeyXAJNPHSIMCBHKT-MSOLQXFVSA-N
MW385.81 g/mol
LogP2.47
Rot. Bonds6

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

(2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (PubChem CID 71555904) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is (2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name(2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
PubChem CID71555904
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name(2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESNC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(Cl)nc3)cc2)n1
InChIInChI=1S/C19H16ClN3O4/c20-16-9-8-13(10-22-16)27-12-6-4-11(5-7-12)14-2-1-3-15(23-14)17(24)18(25)19(21)26/h1-10,17-18,24-25H,(H2,21,26)/t17-,18+/m1/s1
InChIKeyXAJNPHSIMCBHKT-MSOLQXFVSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The IUPAC name of (2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (CID 71555904) is (2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for (2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The canonical SMILES for (2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is NC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(Cl)nc3)cc2)n1.
What is the InChIKey of (2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The InChIKey is XAJNPHSIMCBHKT-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c20-16-9-8-13(10-22-16)27-12-6-4-11(5-7-12)14-2-1-3-15(23-14)17(24)18(25)19(21)26/h1-10,17-18,24-25H,(H2,21,26)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
(2S,3R)-3-[6-[4-[(6-chloro-3-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 (2S,3R)-3-[6-[4-[(6-chloro-3-pyridinyl)oxy]phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 71555904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).