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

C17H18Cl2N4O — CID 109299118

IUPACN-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2nccc(C(=O)Nc3cc(Cl)cc(Cl)c3)n2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-11-3-6-23(7-4-11)17-20-5-2-15(22-17)16(24)21-14-9-12(18)8-13(19)10-14/h2,5,8-11H,3-4,6-7H2,1H3,(H,21,24)
InChIKeyNYBOWKQHJNJSQB-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.27
Rot. Bonds3

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

N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109299118) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109299118
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCN(c2nccc(C(=O)Nc3cc(Cl)cc(Cl)c3)n2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-11-3-6-23(7-4-11)17-20-5-2-15(22-17)16(24)21-14-9-12(18)8-13(19)10-14/h2,5,8-11H,3-4,6-7H2,1H3,(H,21,24)
InChIKeyNYBOWKQHJNJSQB-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-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299068
N-(3,5-dichlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504114
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299122
N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299125
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299069
N-[2-(dimethylamino)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298960
2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109299018
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312744
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109299118) is N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCN(c2nccc(C(=O)Nc3cc(Cl)cc(Cl)c3)n2)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is NYBOWKQHJNJSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c1-11-3-6-23(7-4-11)17-20-5-2-15(22-17)16(24)21-14-9-12(18)8-13(19)10-14/h2,5,8-11H,3-4,6-7H2,1H3,(H,21,24).
What are the key properties of N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(3,5-dichlorophenyl)-2-(4-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-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).