N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

C18H20Cl2N4O — CID 109264300

IUPACN-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C18H20Cl2N4O/c1-2-14-5-3-4-8-24(14)18-21-10-12(11-22-18)17(25)23-16-9-13(19)6-7-15(16)20/h6-7,9-11,14H,2-5,8H2,1H3,(H,23,25)
InChIKeyRELOLJMXZQQBBR-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.80
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109264300) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109264300
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC NameN-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCC1CCCCN1c1ncc(C(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C18H20Cl2N4O/c1-2-14-5-3-4-8-24(14)18-21-10-12(11-22-18)17(25)23-16-9-13(19)6-7-15(16)20/h6-7,9-11,14H,2-5,8H2,1H3,(H,23,25)
InChIKeyRELOLJMXZQQBBR-UHFFFAOYSA-N
XLogP4.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
N-(2,5-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264233
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
N-cycloheptyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263083
N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264308
5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249279
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240680
N-(2,5-dichlorophenyl)-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262569

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109264300) is N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is CCC1CCCCN1c1ncc(C(=O)Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is RELOLJMXZQQBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-2-14-5-3-4-8-24(14)18-21-10-12(11-22-18)17(25)23-16-9-13(19)6-7-15(16)20/h6-7,9-11,14H,2-5,8H2,1H3,(H,23,25).
What are the key properties of N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).