2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide

C23H30ClN3O2 — CID 127251417

IUPAC2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCOC(c2cc(Cc3ccccc3Cl)cc(C)n2)C1
InChIInChI=1S/C23H30ClN3O2/c1-4-27(5-2)23(28)16-26-10-11-29-22(15-26)21-14-18(12-17(3)25-21)13-19-8-6-7-9-20(19)24/h6-9,12,14,22H,4-5,10-11,13,15-16H2,1-3H3
InChIKeySTTZCUZOLGBHTK-UHFFFAOYSA-N
MW415.97 g/mol
LogP3.88
Rot. Bonds7

About 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide

2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide (PubChem CID 127251417) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
PubChem CID127251417
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCOC(c2cc(Cc3ccccc3Cl)cc(C)n2)C1
InChIInChI=1S/C23H30ClN3O2/c1-4-27(5-2)23(28)16-26-10-11-29-22(15-26)21-14-18(12-17(3)25-21)13-19-8-6-7-9-20(19)24/h6-9,12,14,22H,4-5,10-11,13,15-16H2,1-3H3
InChIKeySTTZCUZOLGBHTK-UHFFFAOYSA-N
XLogP3.88
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127251415
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-N,N-diethylmorpholine-4-sulfonamide
CID 124978058
(2R)-2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]-4-pyrrolidin-1-ylsulfonylmorpholine
CID 124983214
N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide
CID 175656550
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110263682
(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124949780
2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
CID 95694316
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
CID 110252715
1-[2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 127251546
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110252554

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide (CID 127251417) is 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCOC(c2cc(Cc3ccccc3Cl)cc(C)n2)C1.
What is the InChIKey of 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide?
The InChIKey is STTZCUZOLGBHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-4-27(5-2)23(28)16-26-10-11-29-22(15-26)21-14-18(12-17(3)25-21)13-19-8-6-7-9-20(19)24/h6-9,12,14,22H,4-5,10-11,13,15-16H2,1-3H3.
What are the key properties of 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide?
2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide has a molecular weight of 415.97 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 127251417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).