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

C20H20ClN5O — CID 109372286

IUPACN-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(Cl)cc2)cc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C20H20ClN5O/c1-14-23-18(20(27)25-17-5-3-16(21)4-6-17)13-19(24-14)26(2)12-9-15-7-10-22-11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,25,27)
InChIKeyGCFAMGLTNLKJOZ-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.76
Rot. Bonds6

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

N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 109372286) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
PubChem CID109372286
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC NameN-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(Cl)cc2)cc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C20H20ClN5O/c1-14-23-18(20(27)25-17-5-3-16(21)4-6-17)13-19(24-14)26(2)12-9-15-7-10-22-11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,25,27)
InChIKeyGCFAMGLTNLKJOZ-UHFFFAOYSA-N
XLogP3.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109370147
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
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285110
methyl 4-[[2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]amino]benzoate
CID 112874437
N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351589
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
6-N-(3,4-dimethylphenyl)-4-N,2-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112874388
N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285128
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (CID 109372286) is N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccc(Cl)cc2)cc(N(C)CCc2ccncc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is GCFAMGLTNLKJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-14-23-18(20(27)25-17-5-3-16(21)4-6-17)13-19(24-14)26(2)12-9-15-7-10-22-11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109372286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).