3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide

C23H29ClN4O3 — CID 55709961

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccc(N2CC(C)OC(C)C2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O3/c1-15-13-28(14-16(2)31-15)22-9-4-18(11-25-22)12-26-23(30)10-21(27-17(3)29)19-5-7-20(24)8-6-19/h4-9,11,15-16,21H,10,12-14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyMDYNUDBLYVDUSW-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.23
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 55709961) has the molecular formula C23H29ClN4O3 and a molecular weight of 444.96 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
PubChem CID55709961
Molecular FormulaC23H29ClN4O3
Molecular Weight444.96 g/mol
Exact Mass444.19
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccc(N2CC(C)OC(C)C2)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O3/c1-15-13-28(14-16(2)31-15)22-9-4-18(11-25-22)12-26-23(30)10-21(27-17(3)29)19-5-7-20(24)8-6-19/h4-9,11,15-16,21H,10,12-14H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyMDYNUDBLYVDUSW-UHFFFAOYSA-N
XLogP3.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-acetamido-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 51954210
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
1-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55839591
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
1-[2-(4-chlorophenyl)sulfanylethyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111372278
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55710020
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95352314
1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702030

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide (CID 55709961) is 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide is CC(=O)NC(CC(=O)NCc1ccc(N2CC(C)OC(C)C2)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is MDYNUDBLYVDUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3/c1-15-13-28(14-16(2)31-15)22-9-4-18(11-25-22)12-26-23(30)10-21(27-17(3)29)19-5-7-20(24)8-6-19/h4-9,11,15-16,21H,10,12-14H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 444.96 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55709961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).