1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one

C25H28N2O — CID 58335450

IUPAC1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one
SMILESCc1cc(-c2ccc(CC(=O)C(C)c3ccc(NC(C)C)cc3)cc2)ccn1
InChIInChI=1S/C25H28N2O/c1-17(2)27-24-11-9-21(10-12-24)19(4)25(28)16-20-5-7-22(8-6-20)23-13-14-26-18(3)15-23/h5-15,17,19,27H,16H2,1-4H3
InChIKeyQKDRQKZUPITGAK-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.79
Rot. Bonds7

About 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one

1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one (PubChem CID 58335450) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one.

Molecular Properties

Compound Name1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one
PubChem CID58335450
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one
SMILESCc1cc(-c2ccc(CC(=O)C(C)c3ccc(NC(C)C)cc3)cc2)ccn1
InChIInChI=1S/C25H28N2O/c1-17(2)27-24-11-9-21(10-12-24)19(4)25(28)16-20-5-7-22(8-6-20)23-13-14-26-18(3)15-23/h5-15,17,19,27H,16H2,1-4H3
InChIKeyQKDRQKZUPITGAK-UHFFFAOYSA-N
XLogP5.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(4-piperidin-1-ylphenyl)butan-2-one
CID 58335434
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
CID 67308595
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one
CID 58335441
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 67308831
5-fluoro-1-[4-(2-methyl-4-pyridinyl)phenyl]-4-phenylpentan-2-one
CID 58267215
4-(furan-2-yl)-1-[4-(2-methyl-4-pyridinyl)phenyl]pentan-2-one
CID 58267209
2-(4-methylphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756851
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-methylsulfanylphenyl)propan-2-one
CID 58267060
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one?
The IUPAC name of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one (CID 58335450) is 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one.
What is the SMILES notation for 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one?
The canonical SMILES for 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one is Cc1cc(-c2ccc(CC(=O)C(C)c3ccc(NC(C)C)cc3)cc2)ccn1.
What is the InChIKey of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one?
The InChIKey is QKDRQKZUPITGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-17(2)27-24-11-9-21(10-12-24)19(4)25(28)16-20-5-7-22(8-6-20)23-13-14-26-18(3)15-23/h5-15,17,19,27H,16H2,1-4H3.
What are the key properties of 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one?
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one has a molecular weight of 372.51 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-4-pyridinyl)phenyl]-3-[4-(propan-2-ylamino)phenyl]butan-2-one is sourced from PubChem (CID 58335450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).