2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide

C30H36FN3O4 — CID 59000636

IUPAC2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cc(F)cc(OCC(C)C)c3)nc2N2CCOCC2)cc1
InChIInChI=1S/C30H36FN3O4/c1-4-37-26-8-5-23(6-9-26)28-10-7-25(33-30(28)34-11-13-36-14-12-34)18-29(35)32-19-22-15-24(31)17-27(16-22)38-20-21(2)3/h5-10,15-17,21H,4,11-14,18-20H2,1-3H3,(H,32,35)
InChIKeyVDKPEXAYCNLWTG-UHFFFAOYSA-N
MW521.63 g/mol
LogP5.02
Rot. Bonds11

About 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide

2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide (PubChem CID 59000636) has the molecular formula C30H36FN3O4 and a molecular weight of 521.63 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide
PubChem CID59000636
Molecular FormulaC30H36FN3O4
Molecular Weight521.63 g/mol
Exact Mass521.27
IUPAC Name2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cc(F)cc(OCC(C)C)c3)nc2N2CCOCC2)cc1
InChIInChI=1S/C30H36FN3O4/c1-4-37-26-8-5-23(6-9-26)28-10-7-25(33-30(28)34-11-13-36-14-12-34)18-29(35)32-19-22-15-24(31)17-27(16-22)38-20-21(2)3/h5-10,15-17,21H,4,11-14,18-20H2,1-3H3,(H,32,35)
InChIKeyVDKPEXAYCNLWTG-UHFFFAOYSA-N
XLogP5.02
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.63
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide (CID 59000636) is 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide is CCOc1ccc(-c2ccc(CC(=O)NCc3cc(F)cc(OCC(C)C)c3)nc2N2CCOCC2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide?
The InChIKey is VDKPEXAYCNLWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O4/c1-4-37-26-8-5-23(6-9-26)28-10-7-25(33-30(28)34-11-13-36-14-12-34)18-29(35)32-19-22-15-24(31)17-27(16-22)38-20-21(2)3/h5-10,15-17,21H,4,11-14,18-20H2,1-3H3,(H,32,35).
What are the key properties of 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide?
2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide has a molecular weight of 521.63 g/mol, XLogP of 5.02, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-6-morpholin-4-yl-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 59000636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).