N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide

C18H18Cl2N4O2 — CID 109096766

IUPACN-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)n2)CC1
InChIInChI=1S/C18H18Cl2N4O2/c1-23-7-9-24(10-8-23)18(26)15-4-2-3-14(21-15)17(25)22-16-11-12(19)5-6-13(16)20/h2-6,11H,7-10H2,1H3,(H,22,25)
InChIKeyTWYXTLYMXLKSAM-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.03
Rot. Bonds3

About N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109096766) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109096766
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC NameN-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)n2)CC1
InChIInChI=1S/C18H18Cl2N4O2/c1-23-7-9-24(10-8-23)18(26)15-4-2-3-14(21-15)17(25)22-16-11-12(19)5-6-13(16)20/h2-6,11H,7-10H2,1H3,(H,22,25)
InChIKeyTWYXTLYMXLKSAM-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

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Related Compounds

2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
N-(5-chloro-2-methylphenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094861
N-(2-chlorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094857
2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790
6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109097056
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
6-N-cyclopentyl-2-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109095085
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367
6-N-(2,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096411
N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
CID 109098517
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094899
[2-(4-chloro-2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302294

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109096766) is N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide is CN1CCN(C(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)n2)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is TWYXTLYMXLKSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-23-7-9-24(10-8-23)18(26)15-4-2-3-14(21-15)17(25)22-16-11-12(19)5-6-13(16)20/h2-6,11H,7-10H2,1H3,(H,22,25).
What are the key properties of N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-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-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109096766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).