(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

C25H28N4O2 — CID 92605794

IUPAC(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1
InChIInChI=1S/C25H28N4O2/c1-28(2)24(30)25(19-29(13-14-31-25)18-20-8-11-26-12-9-20)16-21-5-3-6-22(15-21)23-7-4-10-27-17-23/h3-12,15,17H,13-14,16,18-19H2,1-2H3/t25-/m1/s1
InChIKeyKFNQXUXILIAROE-RUZDIDTESA-N
MW416.53 g/mol
LogP3.05
Rot. Bonds6

About (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92605794) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92605794
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1
InChIInChI=1S/C25H28N4O2/c1-28(2)24(30)25(19-29(13-14-31-25)18-20-8-11-26-12-9-20)16-21-5-3-6-22(15-21)23-7-4-10-27-17-23/h3-12,15,17H,13-14,16,18-19H2,1-2H3/t25-/m1/s1
InChIKeyKFNQXUXILIAROE-RUZDIDTESA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-methyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610184
(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610179
(2S)-N-methyl-4-[(3-methylphenyl)methyl]-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92560858
N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
CID 110233157
(2R)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 92558379
(2S)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 95848951
4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233044
(2R)-N-methyl-4-(pyridin-2-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610175
(3S)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 92605591
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92595329
N,N-dimethyl-4-(3-methylbutanoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233305
(2S)-4-(cyclopropanecarbonyl)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92605600

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 92605794) is (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2ccncc2)CCO1.
What is the InChIKey of (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is KFNQXUXILIAROE-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O2/c1-28(2)24(30)25(19-29(13-14-31-25)18-20-8-11-26-12-9-20)16-21-5-3-6-22(15-21)23-7-4-10-27-17-23/h3-12,15,17H,13-14,16,18-19H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-4-(pyridin-4-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92605794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).