N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

C21H22ClN5O — CID 109370147

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Cl)cc2)cc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C21H22ClN5O/c1-15-25-19(21(28)24-14-17-3-5-18(22)6-4-17)13-20(26-15)27(2)12-9-16-7-10-23-11-8-16/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,24,28)
InChIKeyYTXSRPUSTNCLFI-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.44
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 109370147) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
PubChem CID109370147
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Cl)cc2)cc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C21H22ClN5O/c1-15-25-19(21(28)24-14-17-3-5-18(22)6-4-17)13-20(26-15)27(2)12-9-16-7-10-23-11-8-16/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,24,28)
InChIKeyYTXSRPUSTNCLFI-UHFFFAOYSA-N
XLogP3.44
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]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-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372286
N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109257591
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
N-(2-methoxyphenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372292
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109372303
6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370437
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169910
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048
N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351589

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (CID 109370147) is N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc(Cl)cc2)cc(N(C)CCc2ccncc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is YTXSRPUSTNCLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-15-25-19(21(28)24-14-17-3-5-18(22)6-4-17)13-20(26-15)27(2)12-9-16-7-10-23-11-8-16/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,24,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109370147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).