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

C26H26FN3O3 — CID 92610099

IUPAC(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C26H26FN3O3/c1-28-25(32)26(17-20-3-2-4-22(15-20)21-9-11-29-12-10-21)18-30(13-14-33-26)24(31)16-19-5-7-23(27)8-6-19/h2-12,15H,13-14,16-18H2,1H3,(H,28,32)/t26-/m1/s1
InChIKeyZFNQQRPAPIHRCJ-AREMUKBSSA-N
MW447.51 g/mol
LogP3.02
Rot. Bonds6

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

(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92610099) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92610099
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C26H26FN3O3/c1-28-25(32)26(17-20-3-2-4-22(15-20)21-9-11-29-12-10-21)18-30(13-14-33-26)24(31)16-19-5-7-23(27)8-6-19/h2-12,15H,13-14,16-18H2,1H3,(H,28,32)/t26-/m1/s1
InChIKeyZFNQQRPAPIHRCJ-AREMUKBSSA-N
XLogP3.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide with MolForge

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Related Compounds

Kx2-361
CID 11545920
Methyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(2-fluorophenyl)-3-pyridinyl]methylamino]acetate
CID 73352462
(5R)-5-benzyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazolidine-5-carboxamide
CID 71727063
(5R)-5-benzyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-5-carboxamide
CID 71726936
(5R)-5-benzyl-2,4-dioxo-3-[(1R)-1-phenylethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-5-carboxamide
CID 71726937
1-Morpholin-4-yl-2-phenyl-3-(pyridin-4-ylmethylamino)propan-1-one
CID 72022524
1-Morpholin-4-yl-2-phenyl-3-(pyridin-3-ylmethylamino)propan-1-one
CID 72022526
1-{1-[2-(3-Fluorophenyl)acetyl]piperidin-4-YL}-3-methoxy-4-(pyridin-4-YL)azetidin-2-one
CID 124077304
8-[2-(3-Fluorophenyl)acetyl]-4-methyl-4-phenyl-3-(pyridin-3-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134810810
(2S,3R)-4-(3-chloro-4-fluorophenyl)-3-(3-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 145968100
(2S,3R)-4-(3,4-difluorophenyl)-3-(3-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 145970926
4-[3-(4-Pyridinyl)propanoyl]-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45228045

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 92610099) is (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)Cc2ccc(F)cc2)CCO1.
What is the InChIKey of (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is ZFNQQRPAPIHRCJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-28-25(32)26(17-20-3-2-4-22(15-20)21-9-11-29-12-10-21)18-30(13-14-33-26)24(31)16-19-5-7-23(27)8-6-19/h2-12,15H,13-14,16-18H2,1H3,(H,28,32)/t26-/m1/s1.
What are the key properties of (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92610099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).