(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide

C20H25N3O2 — CID 124885588

IUPAC(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESCCc1ccnc(CNC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H25N3O2/c1-3-16-9-10-21-18(11-16)12-22-20(24)23-13-15(2)25-19(14-23)17-7-5-4-6-8-17/h4-11,15,19H,3,12-14H2,1-2H3,(H,22,24)/t15-,19-/m1/s1
InChIKeyHBDGHPREEYSWHF-DNVCBOLYSA-N
MW339.44 g/mol
LogP3.32
Rot. Bonds4

About (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide

(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide (PubChem CID 124885588) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
PubChem CID124885588
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
SMILESCCc1ccnc(CNC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H25N3O2/c1-3-16-9-10-21-18(11-16)12-22-20(24)23-13-15(2)25-19(14-23)17-7-5-4-6-8-17/h4-11,15,19H,3,12-14H2,1-2H3,(H,22,24)/t15-,19-/m1/s1
InChIKeyHBDGHPREEYSWHF-DNVCBOLYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 86898973
(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide
CID 95195537
2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919519
(2R,6R)-2-methyl-6-phenyl-N-phenylmethoxymorpholine-4-carboxamide
CID 95220454
2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 47746600
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
[2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 94820867
(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95583727
(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124866660
(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide
CID 95194564
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The IUPAC name of (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide (CID 124885588) is (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide is CCc1ccnc(CNC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
The InChIKey is HBDGHPREEYSWHF-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-16-9-10-21-18(11-16)12-22-20(24)23-13-15(2)25-19(14-23)17-7-5-4-6-8-17/h4-11,15,19H,3,12-14H2,1-2H3,(H,22,24)/t15-,19-/m1/s1.
What are the key properties of (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide?
(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 124885588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).