(2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide

C17H18FN3O3 — CID 120941039

IUPAC(2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C17H18FN3O3/c1-11-16(19-8-9-23-11)17(22)21-15-7-6-14(10-20-15)24-13-4-2-12(18)3-5-13/h2-7,10-11,16,19H,8-9H2,1H3,(H,20,21,22)/t11-,16+/m1/s1
InChIKeyCOMVPPIKJQPOOU-BZNIZROVSA-N
MW331.35 g/mol
LogP2.33
Rot. Bonds4

About (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120941039) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
PubChem CID120941039
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1
InChIInChI=1S/C17H18FN3O3/c1-11-16(19-8-9-23-11)17(22)21-15-7-6-14(10-20-15)24-13-4-2-12(18)3-5-13/h2-7,10-11,16,19H,8-9H2,1H3,(H,20,21,22)/t11-,16+/m1/s1
InChIKeyCOMVPPIKJQPOOU-BZNIZROVSA-N
XLogP2.33
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120940037
(2R,3S)-2-methyl-N-pyridin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937700
(3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]oxolane-3-carboxamide
CID 95594016
(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531
(2R,3S)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939088
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937933
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827
(2R,3S)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120928774
(2R,3S)-N-(3-hydroxy-2-pyridinyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120943026
(2R,3S)-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120926492
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide (CID 120941039) is (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1.
What is the InChIKey of (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is COMVPPIKJQPOOU-BZNIZROVSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-16(19-8-9-23-11)17(22)21-15-7-6-14(10-20-15)24-13-4-2-12(18)3-5-13/h2-7,10-11,16,19H,8-9H2,1H3,(H,20,21,22)/t11-,16+/m1/s1.
What are the key properties of (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120941039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).