(3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide

C20H23N3O2 — CID 124514244

IUPAC(3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cccc(-c2ccccn2)c1)N1CCOC[C@H]1C1CC1
InChIInChI=1S/C20H23N3O2/c24-20(23-10-11-25-14-19(23)16-7-8-16)22-13-15-4-3-5-17(12-15)18-6-1-2-9-21-18/h1-6,9,12,16,19H,7-8,10-11,13-14H2,(H,22,24)/t19-/m0/s1
InChIKeySWAISUYIWQTOJB-IBGZPJMESA-N
MW337.42 g/mol
LogP3.07
Rot. Bonds4

About (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide

(3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide (PubChem CID 124514244) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide
PubChem CID124514244
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1cccc(-c2ccccn2)c1)N1CCOC[C@H]1C1CC1
InChIInChI=1S/C20H23N3O2/c24-20(23-10-11-25-14-19(23)16-7-8-16)22-13-15-4-3-5-17(12-15)18-6-1-2-9-21-18/h1-6,9,12,16,19H,7-8,10-11,13-14H2,(H,22,24)/t19-/m0/s1
InChIKeySWAISUYIWQTOJB-IBGZPJMESA-N
XLogP3.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide (CID 124514244) is (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide is O=C(NCc1cccc(-c2ccccn2)c1)N1CCOC[C@H]1C1CC1.
What is the InChIKey of (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide?
The InChIKey is SWAISUYIWQTOJB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(23-10-11-25-14-19(23)16-7-8-16)22-13-15-4-3-5-17(12-15)18-6-1-2-9-21-18/h1-6,9,12,16,19H,7-8,10-11,13-14H2,(H,22,24)/t19-/m0/s1.
What are the key properties of (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide?
(3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 124514244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).