4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide

C28H30N6O3 — CID 11518930

IUPAC4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(-c2ccc3nc(C)nc(N4CCN(C(=O)Nc5cccc(C)c5)CC4)c3n2)cc1OC
InChIInChI=1S/C28H30N6O3/c1-18-6-5-7-21(16-18)31-28(35)34-14-12-33(13-15-34)27-26-23(29-19(2)30-27)10-9-22(32-26)20-8-11-24(36-3)25(17-20)37-4/h5-11,16-17H,12-15H2,1-4H3,(H,31,35)
InChIKeyKMKXETOJZRLVCL-UHFFFAOYSA-N
MW498.59 g/mol
LogP4.68
Rot. Bonds5

About 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide

4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 11518930) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID11518930
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(-c2ccc3nc(C)nc(N4CCN(C(=O)Nc5cccc(C)c5)CC4)c3n2)cc1OC
InChIInChI=1S/C28H30N6O3/c1-18-6-5-7-21(16-18)31-28(35)34-14-12-33(13-15-34)27-26-23(29-19(2)30-27)10-9-22(32-26)20-8-11-24(36-3)25(17-20)37-4/h5-11,16-17H,12-15H2,1-4H3,(H,31,35)
InChIKeyKMKXETOJZRLVCL-UHFFFAOYSA-N
XLogP4.68
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-butoxy-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 25154488
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 68919359
4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 143372736
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 68920782
N-(3-chlorophenyl)-4-[6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]pyrido[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 59647854
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-benzylpiperazine-1-carboxamide
CID 68919243
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 68914496
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-cyclohexylpiperazine-1-carboxamide
CID 68912399
1-[2-acetamido-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
CID 69078717
1-[4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59647867
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 11237571
6-(3,4-dimethoxyphenyl)-4-[4-(4-methylphenyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
CID 110171978

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide (CID 11518930) is 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide is COc1ccc(-c2ccc3nc(C)nc(N4CCN(C(=O)Nc5cccc(C)c5)CC4)c3n2)cc1OC.
What is the InChIKey of 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is KMKXETOJZRLVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-18-6-5-7-21(16-18)31-28(35)34-14-12-33(13-15-34)27-26-23(29-19(2)30-27)10-9-22(32-26)20-8-11-24(36-3)25(17-20)37-4/h5-11,16-17H,12-15H2,1-4H3,(H,31,35).
What are the key properties of 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide?
4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11518930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).