N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C17H18Cl2N4O — CID 109312744

IUPACN-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)Nc3cc(Cl)ccc3Cl)n2)C1
InChIInChI=1S/C17H18Cl2N4O/c1-11-3-2-8-23(10-11)17-20-7-6-14(22-17)16(24)21-15-9-12(18)4-5-13(15)19/h4-7,9,11H,2-3,8,10H2,1H3,(H,21,24)
InChIKeyAFNKRSAHPLBUJH-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.27
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109312744) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109312744
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)Nc3cc(Cl)ccc3Cl)n2)C1
InChIInChI=1S/C17H18Cl2N4O/c1-11-3-2-8-23(10-11)17-20-7-6-14(22-17)16(24)21-15-9-12(18)4-5-13(15)19/h4-7,9,11H,2-3,8,10H2,1H3,(H,21,24)
InChIKeyAFNKRSAHPLBUJH-UHFFFAOYSA-N
XLogP4.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710
N-(3,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312663
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312759
N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109311314
N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312677
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299118
N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196455
N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288825
N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333957
N-[2-(2-fluorophenyl)ethyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109308302
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109312744) is N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCCN(c2nccc(C(=O)Nc3cc(Cl)ccc3Cl)n2)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is AFNKRSAHPLBUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c1-11-3-2-8-23(10-11)17-20-7-6-14(22-17)16(24)21-15-9-12(18)4-5-13(15)19/h4-7,9,11H,2-3,8,10H2,1H3,(H,21,24).
What are the key properties of N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 4.27, 3 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-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).