(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide

C18H20FN3O2 — CID 95178874

IUPAC(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide
SMILESCc1ccc(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cn1
InChIInChI=1S/C18H20FN3O2/c1-13-5-6-14(10-20-13)11-21-18(23)22-7-8-24-17(12-22)15-3-2-4-16(19)9-15/h2-6,9-10,17H,7-8,11-12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyGWEMZNMSIUVJEY-KRWDZBQOSA-N
MW329.38 g/mol
LogP2.81
Rot. Bonds3

About (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide

(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide (PubChem CID 95178874) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide
PubChem CID95178874
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide
SMILESCc1ccc(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cn1
InChIInChI=1S/C18H20FN3O2/c1-13-5-6-14(10-20-13)11-21-18(23)22-7-8-24-17(12-22)15-3-2-4-16(19)9-15/h2-6,9-10,17H,7-8,11-12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyGWEMZNMSIUVJEY-KRWDZBQOSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 99814956
2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 119041502
(2R)-2-(3-chloro-4-fluorophenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 129369434
(2S)-2-(3-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 52516717
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
N-(6-cyclopropylpyridazin-3-yl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 127624710
(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 99775755
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 95178272
[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155945273
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide (CID 95178874) is (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide is Cc1ccc(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)cn1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide?
The InChIKey is GWEMZNMSIUVJEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13-5-6-14(10-20-13)11-21-18(23)22-7-8-24-17(12-22)15-3-2-4-16(19)9-15/h2-6,9-10,17H,7-8,11-12H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide?
(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 95178874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).