[4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

C22H21NO4 — CID 155559799

IUPAC[4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccc(C)cc3)ccn2)cc(OC)c1OC
InChIInChI=1S/C22H21NO4/c1-14-5-7-15(8-6-14)16-9-10-23-18(11-16)21(24)17-12-19(25-2)22(27-4)20(13-17)26-3/h5-13H,1-4H3
InChIKeyNMMVKXICRCWJEP-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.31
Rot. Bonds6

About [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

[4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155559799) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155559799
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name[4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3ccc(C)cc3)ccn2)cc(OC)c1OC
InChIInChI=1S/C22H21NO4/c1-14-5-7-15(8-6-14)16-9-10-23-18(11-16)21(24)17-12-19(25-2)22(27-4)20(13-17)26-3/h5-13H,1-4H3
InChIKeyNMMVKXICRCWJEP-UHFFFAOYSA-N
XLogP4.31
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (CID 155559799) is [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(-c3ccc(C)cc3)ccn2)cc(OC)c1OC.
What is the InChIKey of [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is NMMVKXICRCWJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-14-5-7-15(8-6-14)16-9-10-23-18(11-16)21(24)17-12-19(25-2)22(27-4)20(13-17)26-3/h5-13H,1-4H3.
What are the key properties of [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 363.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155559799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).