N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide

C19H22Cl2N4O — CID 109333831

IUPACN-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nc(C)cc(C(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H22Cl2N4O/c1-3-13-7-4-5-10-25(13)19-22-12(2)11-16(23-19)18(26)24-17-14(20)8-6-9-15(17)21/h6,8-9,11,13H,3-5,7,10H2,1-2H3,(H,24,26)
InChIKeyCODRTMWLXOPDGC-UHFFFAOYSA-N
MW393.32 g/mol
LogP5.11
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide

N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109333831) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID109333831
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC NameN-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nc(C)cc(C(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H22Cl2N4O/c1-3-13-7-4-5-10-25(13)19-22-12(2)11-16(23-19)18(26)24-17-14(20)8-6-9-15(17)21/h6,8-9,11,13H,3-5,7,10H2,1-2H3,(H,24,26)
InChIKeyCODRTMWLXOPDGC-UHFFFAOYSA-N
XLogP5.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.32
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333798
N-(2,6-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326134
2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330744
N-(2,6-diethylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322349
N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312478
2-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidine-4-carbothioamide
CID 107546727
N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288601
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334362

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide (CID 109333831) is N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide is CCC1CCCCN1c1nc(C)cc(C(=O)Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is CODRTMWLXOPDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O/c1-3-13-7-4-5-10-25(13)19-22-12(2)11-16(23-19)18(26)24-17-14(20)8-6-9-15(17)21/h6,8-9,11,13H,3-5,7,10H2,1-2H3,(H,24,26).
What are the key properties of N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide?
N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 393.32 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).