(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide

C24H22FN3O3 — CID 92569626

IUPAC(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
SMILESNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C24H22FN3O3/c25-21-8-2-6-19(13-21)18-5-1-4-17(12-18)14-24(23(26)30)16-28(10-11-31-24)22(29)20-7-3-9-27-15-20/h1-9,12-13,15H,10-11,14,16H2,(H2,26,30)/t24-/m1/s1
InChIKeyGBDKCBBSLVWHAS-XMMPIXPASA-N
MW419.46 g/mol
LogP2.83
Rot. Bonds5

About (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide

(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide (PubChem CID 92569626) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
PubChem CID92569626
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
SMILESNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)c2cccnc2)CCO1
InChIInChI=1S/C24H22FN3O3/c25-21-8-2-6-19(13-21)18-5-1-4-17(12-18)14-24(23(26)30)16-28(10-11-31-24)22(29)20-7-3-9-27-15-20/h1-9,12-13,15H,10-11,14,16H2,(H2,26,30)/t24-/m1/s1
InChIKeyGBDKCBBSLVWHAS-XMMPIXPASA-N
XLogP2.83
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92569616
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 95848920
N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 110233229
(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92599569
(2S)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 95848951
4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233047
4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233044
(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592677
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(2S)-4-(3-phenylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574627
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide (CID 92569626) is (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide is NC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CN(C(=O)c2cccnc2)CCO1.
What is the InChIKey of (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide?
The InChIKey is GBDKCBBSLVWHAS-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-21-8-2-6-19(13-21)18-5-1-4-17(12-18)14-24(23(26)30)16-28(10-11-31-24)22(29)20-7-3-9-27-15-20/h1-9,12-13,15H,10-11,14,16H2,(H2,26,30)/t24-/m1/s1.
What are the key properties of (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide?
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 92569626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).