2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

C25H26FN3O2 — CID 42640774

IUPAC2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3ccc(F)c(N4CCOCC4)c3)cc2)ccn1
InChIInChI=1S/C25H26FN3O2/c1-17-15-21(9-10-27-17)19-3-6-22(7-4-19)28-25(30)18(2)20-5-8-23(26)24(16-20)29-11-13-31-14-12-29/h3-10,15-16,18H,11-14H2,1-2H3,(H,28,30)
InChIKeyOTPVYIJUNHAWIS-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.77
Rot. Bonds5

About 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 42640774) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID42640774
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3ccc(F)c(N4CCOCC4)c3)cc2)ccn1
InChIInChI=1S/C25H26FN3O2/c1-17-15-21(9-10-27-17)19-3-6-22(7-4-19)28-25(30)18(2)20-5-8-23(26)24(16-20)29-11-13-31-14-12-29/h3-10,15-16,18H,11-14H2,1-2H3,(H,28,30)
InChIKeyOTPVYIJUNHAWIS-UHFFFAOYSA-N
XLogP4.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 42640774) is 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3ccc(F)c(N4CCOCC4)c3)cc2)ccn1.
What is the InChIKey of 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is OTPVYIJUNHAWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-17-15-21(9-10-27-17)19-3-6-22(7-4-19)28-25(30)18(2)20-5-8-23(26)24(16-20)29-11-13-31-14-12-29/h3-10,15-16,18H,11-14H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 419.50 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-morpholin-4-ylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 42640774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).