N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide

C18H18Cl2N4O2 — CID 109084396

IUPACN-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCN1CCN(C(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccn2)CC1
InChIInChI=1S/C18H18Cl2N4O2/c1-23-6-8-24(9-7-23)18(26)16-10-12(4-5-21-16)17(25)22-13-2-3-14(19)15(20)11-13/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyWXCDMTIPQMLTDL-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.03
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide

N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109084396) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109084396
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCN1CCN(C(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccn2)CC1
InChIInChI=1S/C18H18Cl2N4O2/c1-23-6-8-24(9-7-23)18(26)16-10-12(4-5-21-16)17(25)22-13-2-3-14(19)15(20)11-13/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyWXCDMTIPQMLTDL-UHFFFAOYSA-N
XLogP3.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084361
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084254
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084410
N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084394
2-(azepane-1-carbonyl)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109090742
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
N-(3,4-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (CID 109084396) is N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is CN1CCN(C(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccn2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is WXCDMTIPQMLTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-23-6-8-24(9-7-23)18(26)16-10-12(4-5-21-16)17(25)22-13-2-3-14(19)15(20)11-13/h2-5,10-11H,6-9H2,1H3,(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).