3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide

C28H33N3O4 — CID 90460895

IUPAC3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide
SMILESCCOc1ncc(-c2cc(C(=O)Nc3cccc(C(C)(C)O)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C28H33N3O4/c1-5-35-27-25(31-11-13-34-14-12-31)16-21(18-29-27)24-15-20(10-9-19(24)2)26(32)30-23-8-6-7-22(17-23)28(3,4)33/h6-10,15-18,33H,5,11-14H2,1-4H3,(H,30,32)
InChIKeyVKMQXZAOMUCLSD-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.77
Rot. Bonds7

About 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide

3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide (PubChem CID 90460895) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide
PubChem CID90460895
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide
SMILESCCOc1ncc(-c2cc(C(=O)Nc3cccc(C(C)(C)O)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C28H33N3O4/c1-5-35-27-25(31-11-13-34-14-12-31)16-21(18-29-27)24-15-20(10-9-19(24)2)26(32)30-23-8-6-7-22(17-23)28(3,4)33/h6-10,15-18,33H,5,11-14H2,1-4H3,(H,30,32)
InChIKeyVKMQXZAOMUCLSD-UHFFFAOYSA-N
XLogP4.77
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 90460976
3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 118889428
ethane;N-[3-(6-hex-5-ynoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 142464641
N-[4-methyl-3-[5-morpholin-4-yl-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide
CID 135390522
2-fluoro-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425724
4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90456280
[3-(difluoromethyl)phenyl]-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylanilino]methanol
CID 138714541
N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407897
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90461223
N-[5-(6-but-3-ynoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 135390019
N-[5-[6-(1,1-dihydroxythian-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 118870900
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90410070

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide (CID 90460895) is 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide is CCOc1ncc(-c2cc(C(=O)Nc3cccc(C(C)(C)O)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide?
The InChIKey is VKMQXZAOMUCLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-5-35-27-25(31-11-13-34-14-12-31)16-21(18-29-27)24-15-20(10-9-19(24)2)26(32)30-23-8-6-7-22(17-23)28(3,4)33/h6-10,15-18,33H,5,11-14H2,1-4H3,(H,30,32).
What are the key properties of 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide?
3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide has a molecular weight of 475.59 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-[3-(2-hydroxypropan-2-yl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 90460895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).