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

C31H31N3O2 — CID 67309038

IUPACN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(N5CCOCC5)cc4)c3)cc2)ccn1
InChIInChI=1S/C31H31N3O2/c1-22-20-28(14-15-32-22)24-6-10-29(11-7-24)33-31(35)23(2)26-4-3-5-27(21-26)25-8-12-30(13-9-25)34-16-18-36-19-17-34/h3-15,20-21,23H,16-19H2,1-2H3,(H,33,35)
InChIKeyGMNQLLUODIGEJV-UHFFFAOYSA-N
MW477.61 g/mol
LogP6.30
Rot. Bonds6

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

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide (PubChem CID 67309038) has the molecular formula C31H31N3O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide
PubChem CID67309038
Molecular FormulaC31H31N3O2
Molecular Weight477.61 g/mol
Exact Mass477.24
IUPAC NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(N5CCOCC5)cc4)c3)cc2)ccn1
InChIInChI=1S/C31H31N3O2/c1-22-20-28(14-15-32-22)24-6-10-29(11-7-24)33-31(35)23(2)26-4-3-5-27(21-26)25-8-12-30(13-9-25)34-16-18-36-19-17-34/h3-15,20-21,23H,16-19H2,1-2H3,(H,33,35)
InChIKeyGMNQLLUODIGEJV-UHFFFAOYSA-N
XLogP6.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide?
The IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide (CID 67309038) is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(N5CCOCC5)cc4)c3)cc2)ccn1.
What is the InChIKey of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide?
The InChIKey is GMNQLLUODIGEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O2/c1-22-20-28(14-15-32-22)24-6-10-29(11-7-24)33-31(35)23(2)26-4-3-5-27(21-26)25-8-12-30(13-9-25)34-16-18-36-19-17-34/h3-15,20-21,23H,16-19H2,1-2H3,(H,33,35).
What are the key properties of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide?
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide has a molecular weight of 477.61 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide is sourced from PubChem (CID 67309038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).