1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one

C31H31N3O2 — CID 58335441

IUPAC1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
SMILESCc1cc(-c2ccc(CC(=O)C(C)c3cc(-c4ccc(N5CCOCC5)cc4)ccn3)cc2)ccn1
InChIInChI=1S/C31H31N3O2/c1-22-19-27(11-13-32-22)25-5-3-24(4-6-25)20-31(35)23(2)30-21-28(12-14-33-30)26-7-9-29(10-8-26)34-15-17-36-18-16-34/h3-14,19,21,23H,15-18,20H2,1-2H3
InChIKeyJRAMPBDJXULREV-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.87
Rot. Bonds7

About 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one

1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one (PubChem CID 58335441) has the molecular formula C31H31N3O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one.

Molecular Properties

Compound Name1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
PubChem CID58335441
Molecular FormulaC31H31N3O2
Molecular Weight477.61 g/mol
Exact Mass477.24
IUPAC Name1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
SMILESCc1cc(-c2ccc(CC(=O)C(C)c3cc(-c4ccc(N5CCOCC5)cc4)ccn3)cc2)ccn1
InChIInChI=1S/C31H31N3O2/c1-22-19-27(11-13-32-22)25-5-3-24(4-6-25)20-31(35)23(2)30-21-28(12-14-33-30)26-7-9-29(10-8-26)34-15-17-36-18-16-34/h3-14,19,21,23H,15-18,20H2,1-2H3
InChIKeyJRAMPBDJXULREV-UHFFFAOYSA-N
XLogP5.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one with MolForge

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Related Compounds

1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(4-piperidin-1-ylphenyl)butan-2-one
CID 58335434
(2R)-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide
CID 67308603
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 76655372
methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 58447725
2-[4-(2-methyl-4-pyridinyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 142788629
[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]methanamine
CID 177019277
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110675165
4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
CID 58267209
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[5-(3-oxopiperazin-1-yl)-2-pyridinyl]acetamide
CID 58447755
methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate
CID 172578240
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
The IUPAC name of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one (CID 58335441) is 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one.
What is the SMILES notation for 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
The canonical SMILES for 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one is Cc1cc(-c2ccc(CC(=O)C(C)c3cc(-c4ccc(N5CCOCC5)cc4)ccn3)cc2)ccn1.
What is the InChIKey of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
The InChIKey is JRAMPBDJXULREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O2/c1-22-19-27(11-13-32-22)25-5-3-24(4-6-25)20-31(35)23(2)30-21-28(12-14-33-30)26-7-9-29(10-8-26)34-15-17-36-18-16-34/h3-14,19,21,23H,15-18,20H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one?
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one has a molecular weight of 477.61 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one is sourced from PubChem (CID 58335441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).