N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C20H21N5O3 — CID 109371042

IUPACN-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCc3cccnc3)nc(C)n2)cc1OC
InChIInChI=1S/C20H21N5O3/c1-13-23-16(10-19(24-13)22-12-14-5-4-8-21-11-14)20(26)25-15-6-7-17(27-2)18(9-15)28-3/h4-11H,12H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyDJOLTXNBSTZSOL-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.06
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109371042) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109371042
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCc3cccnc3)nc(C)n2)cc1OC
InChIInChI=1S/C20H21N5O3/c1-13-23-16(10-19(24-13)22-12-14-5-4-8-21-11-14)20(26)25-15-6-7-17(27-2)18(9-15)28-3/h4-11H,12H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyDJOLTXNBSTZSOL-UHFFFAOYSA-N
XLogP3.06
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-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

N-(4-tert-butylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371017
2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371012
N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371046
6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109372823
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
N-(2,6-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371069
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
6-(5-chloro-2-methoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371152
N-(3,4-dimethoxyphenyl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849092
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 109371042) is N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(NCc3cccnc3)nc(C)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is DJOLTXNBSTZSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-23-16(10-19(24-13)22-12-14-5-4-8-21-11-14)20(26)25-15-6-7-17(27-2)18(9-15)28-3/h4-11H,12H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).