N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

C25H22N4O3 — CID 53143614

IUPACN-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)cc(OC)c1
InChIInChI=1S/C25H22N4O3/c1-16-4-6-18(7-5-16)24-27-15-22(23(29-24)17-8-10-26-11-9-17)25(30)28-19-12-20(31-2)14-21(13-19)32-3/h4-15H,1-3H3,(H,28,30)
InChIKeyYWKQUZYMATWIHT-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.78
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143614) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143614
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)cc(OC)c1
InChIInChI=1S/C25H22N4O3/c1-16-4-6-18(7-5-16)24-27-15-22(23(29-24)17-8-10-26-11-9-17)25(30)28-19-12-20(31-2)14-21(13-19)32-3/h4-15H,1-3H3,(H,28,30)
InChIKeyYWKQUZYMATWIHT-UHFFFAOYSA-N
XLogP4.78
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide 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 N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143614) is N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is COc1cc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is YWKQUZYMATWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-16-4-6-18(7-5-16)24-27-15-22(23(29-24)17-8-10-26-11-9-17)25(30)28-19-12-20(31-2)14-21(13-19)32-3/h4-15H,1-3H3,(H,28,30).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).