N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide

C18H23ClN4O3 — CID 129087164

IUPACN-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide
SMILESCCOc1ncnc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C)c1
InChIInChI=1S/C18H23ClN4O3/c1-5-25-17-15(18(21-11-20-17)26-9-8-23(3)4)16(24)22-13-6-7-14(19)12(2)10-13/h6-7,10-11H,5,8-9H2,1-4H3,(H,22,24)
InChIKeySORKJRWXXSLZRL-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.03
Rot. Bonds8

About N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide

N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide (PubChem CID 129087164) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide
PubChem CID129087164
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide
SMILESCCOc1ncnc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C)c1
InChIInChI=1S/C18H23ClN4O3/c1-5-25-17-15(18(21-11-20-17)26-9-8-23(3)4)16(24)22-13-6-7-14(19)12(2)10-13/h6-7,10-11H,5,8-9H2,1-4H3,(H,22,24)
InChIKeySORKJRWXXSLZRL-UHFFFAOYSA-N
XLogP3.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 161187250
2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-phenylbenzamide;methane
CID 157397638
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
CID 86964022
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide
CID 129303779
2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-pyridin-4-ylbenzamide;3-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 161172788
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(dimethylamino)propoxy]-6-methylbenzamide
CID 129087176
N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91914319
N-(4-chloro-3-fluoroiodanuidylphenyl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 163510336
3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide (CID 129087164) is N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide is CCOc1ncnc(OCCN(C)C)c1C(=O)Nc1ccc(Cl)c(C)c1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide?
The InChIKey is SORKJRWXXSLZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-5-25-17-15(18(21-11-20-17)26-9-8-23(3)4)16(24)22-13-6-7-14(19)12(2)10-13/h6-7,10-11H,5,8-9H2,1-4H3,(H,22,24).
What are the key properties of N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide?
N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 129087164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).