N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C18H22N4O3 — CID 20959514

IUPACN-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCC3)nc2C)c(OC)c1
InChIInChI=1S/C18H22N4O3/c1-12-14(11-19-18(20-12)22-8-4-5-9-22)17(23)21-15-7-6-13(24-2)10-16(15)25-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,23)
InChIKeyNBNRUIWJQLBLPW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.65
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 20959514) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID20959514
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCC3)nc2C)c(OC)c1
InChIInChI=1S/C18H22N4O3/c1-12-14(11-19-18(20-12)22-8-4-5-9-22)17(23)21-15-7-6-13(24-2)10-16(15)25-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,23)
InChIKeyNBNRUIWJQLBLPW-UHFFFAOYSA-N
XLogP2.65
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-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

Related Compounds

N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208
5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 87028695
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250215
N-(2,4-dimethoxyphenyl)-2-(5-oxo-2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 50826202
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
2-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 66504041
N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504382
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345549
N-(3,4-difluorophenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519
N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766220
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 20959514) is N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCCC3)nc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is NBNRUIWJQLBLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-14(11-19-18(20-12)22-8-4-5-9-22)17(23)21-15-7-6-13(24-2)10-16(15)25-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).