N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide

C46H58N6O4 — CID 145496381

IUPACN-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cn1)C1CCCC(C2CCC(CCNC(=O)Cc3ccc(-c4ccncc4)cc3)C2)C1
InChIInChI=1S/C46H58N6O4/c1-33(51-46(54)30-44-49-31-42(32-50-44)37-11-13-43(14-12-37)56-26-23-52-21-24-55-25-22-52)39-3-2-4-40(29-39)41-10-7-35(27-41)15-20-48-45(53)28-34-5-8-36(9-6-34)38-16-18-47-19-17-38/h5-6,8-9,11-14,16-19,31-33,35,39-41H,2-4,7,10,15,20-30H2,1H3,(H,48,53)(H,51,54)/t33-,35?,39?,40?,41?/m1/s1
InChIKeyYXJFBWHIOVFFGY-GGZVBNHXSA-N
MW759.01 g/mol
LogP6.94
Rot. Bonds16

About N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide

N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide (PubChem CID 145496381) has the molecular formula C46H58N6O4 and a molecular weight of 759.01 g/mol. Its IUPAC name is N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide
PubChem CID145496381
Molecular FormulaC46H58N6O4
Molecular Weight759.01 g/mol
Exact Mass758.45
IUPAC NameN-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cn1)C1CCCC(C2CCC(CCNC(=O)Cc3ccc(-c4ccncc4)cc3)C2)C1
InChIInChI=1S/C46H58N6O4/c1-33(51-46(54)30-44-49-31-42(32-50-44)37-11-13-43(14-12-37)56-26-23-52-21-24-55-25-22-52)39-3-2-4-40(29-39)41-10-7-35(27-41)15-20-48-45(53)28-34-5-8-36(9-6-34)38-16-18-47-19-17-38/h5-6,8-9,11-14,16-19,31-33,35,39-41H,2-4,7,10,15,20-30H2,1H3,(H,48,53)(H,51,54)/t33-,35?,39?,40?,41?/m1/s1
InChIKeyYXJFBWHIOVFFGY-GGZVBNHXSA-N
XLogP6.94
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.01
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide
CID 59529223
N-(2-cyclopentylethyl)-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide
CID 59529212
N-(2-cyclopentylethyl)-2-[5-[4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide;ethane
CID 145496383
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide
CID 98007458
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide;dihydrochloride
CID 163320860
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;methane;methyl 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetate;phenylmethanamine
CID 158207902
N-[(1R)-1-cyclohexylethyl]-2-[5-(4-ethoxyphenyl)-6-(morpholin-4-ylmethyl)-2-pyridinyl]acetamide
CID 59529138
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
CID 142744465
2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide
CID 66824872

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide (CID 145496381) is N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide is C[C@@H](NC(=O)Cc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cn1)C1CCCC(C2CCC(CCNC(=O)Cc3ccc(-c4ccncc4)cc3)C2)C1.
What is the InChIKey of N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide?
The InChIKey is YXJFBWHIOVFFGY-GGZVBNHXSA-N. The full InChI is InChI=1S/C46H58N6O4/c1-33(51-46(54)30-44-49-31-42(32-50-44)37-11-13-43(14-12-37)56-26-23-52-21-24-55-25-22-52)39-3-2-4-40(29-39)41-10-7-35(27-41)15-20-48-45(53)28-34-5-8-36(9-6-34)38-16-18-47-19-17-38/h5-6,8-9,11-14,16-19,31-33,35,39-41H,2-4,7,10,15,20-30H2,1H3,(H,48,53)(H,51,54)/t33-,35?,39?,40?,41?/m1/s1.
What are the key properties of N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide?
N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide has a molecular weight of 759.01 g/mol, XLogP of 6.94, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[3-[(1R)-1-[[2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetyl]amino]ethyl]cyclohexyl]cyclopentyl]ethyl]-2-(4-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 145496381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).