2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide

C27H30FN3O3 — CID 58190221

IUPAC2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCOCC4)cc3F)cc2)c1
InChIInChI=1S/C27H30FN3O3/c1-20-3-2-4-22(15-20)18-29-26(32)16-21-5-7-23(8-6-21)24-19-30-27(17-25(24)28)34-14-11-31-9-12-33-13-10-31/h2-8,15,17,19H,9-14,16,18H2,1H3,(H,29,32)
InChIKeyVHXXJXBKCGMWFD-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.77
Rot. Bonds9

About 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide

2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 58190221) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID58190221
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC Name2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCOCC4)cc3F)cc2)c1
InChIInChI=1S/C27H30FN3O3/c1-20-3-2-4-22(15-20)18-29-26(32)16-21-5-7-23(8-6-21)24-19-30-27(17-25(24)28)34-14-11-31-9-12-33-13-10-31/h2-8,15,17,19H,9-14,16,18H2,1H3,(H,29,32)
InChIKeyVHXXJXBKCGMWFD-UHFFFAOYSA-N
XLogP3.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide (CID 58190221) is 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cc2ccc(-c3cnc(OCCN4CCOCC4)cc3F)cc2)c1.
What is the InChIKey of 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is VHXXJXBKCGMWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3/c1-20-3-2-4-22(15-20)18-29-26(32)16-21-5-7-23(8-6-21)24-19-30-27(17-25(24)28)34-14-11-31-9-12-33-13-10-31/h2-8,15,17,19H,9-14,16,18H2,1H3,(H,29,32).
What are the key properties of 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide?
2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 463.55 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 58190221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).