N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide

C25H27FN4O3 — CID 46214858

IUPACN-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NCc3ccc(F)cc3)nc2N2CCOCC2)cc1
InChIInChI=1S/C25H27FN4O3/c1-32-21-8-4-18(5-9-21)16-24(31)28-22-10-11-23(27-17-19-2-6-20(26)7-3-19)29-25(22)30-12-14-33-15-13-30/h2-11H,12-17H2,1H3,(H,27,29)(H,28,31)
InChIKeyYOSOIYRVWCHLEM-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.86
Rot. Bonds8

About N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide

N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 46214858) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
PubChem CID46214858
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC NameN-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NCc3ccc(F)cc3)nc2N2CCOCC2)cc1
InChIInChI=1S/C25H27FN4O3/c1-32-21-8-4-18(5-9-21)16-24(31)28-22-10-11-23(27-17-19-2-6-20(26)7-3-19)29-25(22)30-12-14-33-15-13-30/h2-11H,12-17H2,1H3,(H,27,29)(H,28,31)
InChIKeyYOSOIYRVWCHLEM-UHFFFAOYSA-N
XLogP3.86
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide (CID 46214858) is N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(NCc3ccc(F)cc3)nc2N2CCOCC2)cc1.
What is the InChIKey of N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is YOSOIYRVWCHLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-32-21-8-4-18(5-9-21)16-24(31)28-22-10-11-23(27-17-19-2-6-20(26)7-3-19)29-25(22)30-12-14-33-15-13-30/h2-11H,12-17H2,1H3,(H,27,29)(H,28,31).
What are the key properties of N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 450.51 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methylamino]-2-morpholin-4-yl-3-pyridinyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46214858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).