N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

C21H22ClN5O — CID 109308987

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccnc(N(C)CCc3ccncc3)n2)c(Cl)c1
InChIInChI=1S/C21H22ClN5O/c1-14-12-15(2)19(17(22)13-14)26-20(28)18-6-10-24-21(25-18)27(3)11-7-16-4-8-23-9-5-16/h4-6,8-10,12-13H,7,11H2,1-3H3,(H,26,28)
InChIKeyUNUCPFXOVSOCON-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.07
Rot. Bonds6

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

N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 109308987) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
PubChem CID109308987
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccnc(N(C)CCc3ccncc3)n2)c(Cl)c1
InChIInChI=1S/C21H22ClN5O/c1-14-12-15(2)19(17(22)13-14)26-20(28)18-6-10-24-21(25-18)27(3)11-7-16-4-8-23-9-5-16/h4-6,8-10,12-13H,7,11H2,1-3H3,(H,26,28)
InChIKeyUNUCPFXOVSOCON-UHFFFAOYSA-N
XLogP4.07
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985607
N-(2,6-dimethylphenyl)-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109331193
2-[methyl(2-pyridin-4-ylethyl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296153
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259314
N-(furan-2-ylmethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109303441
N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285110
6-N-(2-chloro-4,6-dimethylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096369
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055218
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300081

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (CID 109308987) is N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is Cc1cc(C)c(NC(=O)c2ccnc(N(C)CCc3ccncc3)n2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is UNUCPFXOVSOCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-14-12-15(2)19(17(22)13-14)26-20(28)18-6-10-24-21(25-18)27(3)11-7-16-4-8-23-9-5-16/h4-6,8-10,12-13H,7,11H2,1-3H3,(H,26,28).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).