(2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide

C23H22N2O3 — CID 99808039

IUPAC(2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide
SMILESO=C(Nc1ccnc(Oc2ccccc2)c1)[C@@H]1CCCO[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-23(20-12-7-15-27-22(20)17-8-3-1-4-9-17)25-18-13-14-24-21(16-18)28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,20,22H,7,12,15H2,(H,24,25,26)/t20-,22-/m1/s1
InChIKeyXPCLATSMQPAENO-IFMALSPDSA-N
MW374.44 g/mol
LogP4.98
Rot. Bonds5

About (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide

(2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide (PubChem CID 99808039) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide
PubChem CID99808039
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide
SMILESO=C(Nc1ccnc(Oc2ccccc2)c1)[C@@H]1CCCO[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-23(20-12-7-15-27-22(20)17-8-3-1-4-9-17)25-18-13-14-24-21(16-18)28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,20,22H,7,12,15H2,(H,24,25,26)/t20-,22-/m1/s1
InChIKeyXPCLATSMQPAENO-IFMALSPDSA-N
XLogP4.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide?
The IUPAC name of (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide (CID 99808039) is (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide is O=C(Nc1ccnc(Oc2ccccc2)c1)[C@@H]1CCCO[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide?
The InChIKey is XPCLATSMQPAENO-IFMALSPDSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-23(20-12-7-15-27-22(20)17-8-3-1-4-9-17)25-18-13-14-24-21(16-18)28-19-10-5-2-6-11-19/h1-6,8-11,13-14,16,20,22H,7,12,15H2,(H,24,25,26)/t20-,22-/m1/s1.
What are the key properties of (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide?
(2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2-phenoxy-4-pyridinyl)-2-phenyloxane-3-carboxamide is sourced from PubChem (CID 99808039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).