N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide

C28H39N3O3 — CID 59529138

IUPACN-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)N[C@H](C)C3CCCCC3)nc2CN2CCOCC2)cc1
InChIInChI=1S/C28H39N3O3/c1-3-34-25-12-9-23(10-13-25)26-14-11-24(30-27(26)20-31-15-17-33-18-16-31)19-28(32)29-21(2)22-7-5-4-6-8-22/h9-14,21-22H,3-8,15-20H2,1-2H3,(H,29,32)/t21-/m1/s1
InChIKeyYXUMVTXQHFOENY-OAQYLSRUSA-N
MW465.64 g/mol
LogP4.61
Rot. Bonds9

About N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide

N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide (PubChem CID 59529138) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide
PubChem CID59529138
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC NameN-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)N[C@H](C)C3CCCCC3)nc2CN2CCOCC2)cc1
InChIInChI=1S/C28H39N3O3/c1-3-34-25-12-9-23(10-13-25)26-14-11-24(30-27(26)20-31-15-17-33-18-16-31)19-28(32)29-21(2)22-7-5-4-6-8-22/h9-14,21-22H,3-8,15-20H2,1-2H3,(H,29,32)/t21-/m1/s1
InChIKeyYXUMVTXQHFOENY-OAQYLSRUSA-N
XLogP4.61
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide
CID 59529223
N-[(1R)-1-cyclohexylethyl]-2-[5-(2-ethoxyphenyl)-2-pyridinyl]acetamide
CID 25100021
1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-(piperidin-1-ylmethyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-piperidin-1-yl-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
CID 157398411
N-[(1R)-1-cyclohexylethyl]-2-(5-phenyl-2-pyridinyl)acetamide;molecular hydrogen;hydrate
CID 145496412
N-cyclohexyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386943
[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 55571906
N-[(1R)-1-cyclohexylethyl]-2-[4-(2-fluorophenyl)phenyl]acetamide
CID 59529154
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
1-(1-cyclopropylethyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 134001880
(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 1114639
propan-2-yl (3S)-3-[[6-chloro-3-fluoro-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 156570696
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide (CID 59529138) is N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide is CCOc1ccc(-c2ccc(CC(=O)N[C@H](C)C3CCCCC3)nc2CN2CCOCC2)cc1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide?
The InChIKey is YXUMVTXQHFOENY-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-3-34-25-12-9-23(10-13-25)26-14-11-24(30-27(26)20-31-15-17-33-18-16-31)19-28(32)29-21(2)22-7-5-4-6-8-22/h9-14,21-22H,3-8,15-20H2,1-2H3,(H,29,32)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide?
N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide has a molecular weight of 465.64 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 59529138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).