(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

C25H25N3O4 — CID 92599569

IUPAC(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCO[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1
InChIInChI=1S/C25H25N3O4/c1-31-22-7-3-6-21(15-22)23(29)28-12-13-32-25(17-28,24(26)30)16-18-4-2-5-20(14-18)19-8-10-27-11-9-19/h2-11,14-15H,12-13,16-17H2,1H3,(H2,26,30)/t25-/m0/s1
InChIKeyRTPGWYZPHMCFKG-VWLOTQADSA-N
MW431.49 g/mol
LogP2.70
Rot. Bonds6

About (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92599569) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92599569
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1cccc(C(=O)N2CCO[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1
InChIInChI=1S/C25H25N3O4/c1-31-22-7-3-6-21(15-22)23(29)28-12-13-32-25(17-28,24(26)30)16-18-4-2-5-20(14-18)19-8-10-27-11-9-19/h2-11,14-15H,12-13,16-17H2,1H3,(H2,26,30)/t25-/m0/s1
InChIKeyRTPGWYZPHMCFKG-VWLOTQADSA-N
XLogP2.70
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060
(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610112
1-(3-methoxybenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232160
4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232994
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 92569626
(2S)-4-(3-phenylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574627
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide
CID 92558351
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233047
(2S)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 95848951

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 92599569) is (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is COc1cccc(C(=O)N2CCO[C@](Cc3cccc(-c4ccncc4)c3)(C(N)=O)C2)c1.
What is the InChIKey of (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is RTPGWYZPHMCFKG-VWLOTQADSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-22-7-3-6-21(15-22)23(29)28-12-13-32-25(17-28,24(26)30)16-18-4-2-5-20(14-18)19-8-10-27-11-9-19/h2-11,14-15H,12-13,16-17H2,1H3,(H2,26,30)/t25-/m0/s1.
What are the key properties of (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92599569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).