(5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one

C23H25N3O4 — CID 163315519

IUPAC(5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
SMILESCc1ccc(OC2CN(C(=O)[C@H]3OCC(=O)N(C4CC4)[C@@H]3c3cccnc3)C2)cc1
InChIInChI=1S/C23H25N3O4/c1-15-4-8-18(9-5-15)30-19-12-25(13-19)23(28)22-21(16-3-2-10-24-11-16)26(17-6-7-17)20(27)14-29-22/h2-5,8-11,17,19,21-22H,6-7,12-14H2,1H3/t21-,22+/m1/s1
InChIKeyCQAMNICYFNGWJN-YADHBBJMSA-N
MW407.47 g/mol
LogP2.11
Rot. Bonds5

About (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one

(5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one (PubChem CID 163315519) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
PubChem CID163315519
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
SMILESCc1ccc(OC2CN(C(=O)[C@H]3OCC(=O)N(C4CC4)[C@@H]3c3cccnc3)C2)cc1
InChIInChI=1S/C23H25N3O4/c1-15-4-8-18(9-5-15)30-19-12-25(13-19)23(28)22-21(16-3-2-10-24-11-16)26(17-6-7-17)20(27)14-29-22/h2-5,8-11,17,19,21-22H,6-7,12-14H2,1H3/t21-,22+/m1/s1
InChIKeyCQAMNICYFNGWJN-YADHBBJMSA-N
XLogP2.11
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one?
The IUPAC name of (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one (CID 163315519) is (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one?
The canonical SMILES for (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one is Cc1ccc(OC2CN(C(=O)[C@H]3OCC(=O)N(C4CC4)[C@@H]3c3cccnc3)C2)cc1.
What is the InChIKey of (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one?
The InChIKey is CQAMNICYFNGWJN-YADHBBJMSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-4-8-18(9-5-15)30-19-12-25(13-19)23(28)22-21(16-3-2-10-24-11-16)26(17-6-7-17)20(27)14-29-22/h2-5,8-11,17,19,21-22H,6-7,12-14H2,1H3/t21-,22+/m1/s1.
What are the key properties of (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one?
(5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one has a molecular weight of 407.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one is sourced from PubChem (CID 163315519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).