(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide

C26H26FN3O3 — CID 92592685

IUPAC(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)c2ccncc2)CCO1
InChIInChI=1S/C26H26FN3O3/c1-2-29-25(32)26(18-30(15-16-33-26)24(31)22-11-13-28-14-12-22)17-19-3-5-20(6-4-19)21-7-9-23(27)10-8-21/h3-14H,2,15-18H2,1H3,(H,29,32)/t26-/m1/s1
InChIKeySJIYFJGKLWUKSE-AREMUKBSSA-N
MW447.51 g/mol
LogP3.48
Rot. Bonds6

About (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide

(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide (PubChem CID 92592685) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
PubChem CID92592685
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)c2ccncc2)CCO1
InChIInChI=1S/C26H26FN3O3/c1-2-29-25(32)26(18-30(15-16-33-26)24(31)22-11-13-28-14-12-22)17-19-3-5-20(6-4-19)21-7-9-23(27)10-8-21/h3-14H,2,15-18H2,1H3,(H,29,32)/t26-/m1/s1
InChIKeySJIYFJGKLWUKSE-AREMUKBSSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592677
(2S)-4-(2-cyclohexylacetyl)-N-ethyl-2-[(4-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592634
(2S)-4-(pyridine-4-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92571548
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 92618504
2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide
CID 110233454
N-ethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232858
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232856
4-(2,2-dimethylpropanoyl)-2-[[4-(4-fluorophenyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 110233459
2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methylmorpholine-2-carboxamide
CID 155983055
ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 25291959
(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide (CID 92592685) is (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide is CCNC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)c2ccncc2)CCO1.
What is the InChIKey of (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide?
The InChIKey is SJIYFJGKLWUKSE-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-2-29-25(32)26(18-30(15-16-33-26)24(31)22-11-13-28-14-12-22)17-19-3-5-20(6-4-19)21-7-9-23(27)10-8-21/h3-14H,2,15-18H2,1H3,(H,29,32)/t26-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide?
(2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[[4-(4-fluorophenyl)phenyl]methyl]-4-(pyridine-4-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 92592685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).