N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

C17H16Cl2N4O2 — CID 109154974

IUPACN-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cn2)CC1
InChIInChI=1S/C17H16Cl2N4O2/c18-13-2-1-3-14(16(13)19)21-17(25)12-4-5-15(20-10-12)23-8-6-22(11-24)7-9-23/h1-5,10-11H,6-9H2,(H,21,25)
InChIKeyHLXYWKDWDFMNIF-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.92
Rot. Bonds4

About N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109154974) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109154974
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESO=CN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cn2)CC1
InChIInChI=1S/C17H16Cl2N4O2/c18-13-2-1-3-14(16(13)19)21-17(25)12-4-5-15(20-10-12)23-8-6-22(11-24)7-9-23/h1-5,10-11H,6-9H2,(H,21,25)
InChIKeyHLXYWKDWDFMNIF-UHFFFAOYSA-N
XLogP2.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116912
N-(2-chlorophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160648
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544
6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109155174
N-(2-chlorophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345639
N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593
6-anilino-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109162098
2-(4-formylpiperazin-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109254513

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (CID 109154974) is N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is O=CN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cn2)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is HLXYWKDWDFMNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c18-13-2-1-3-14(16(13)19)21-17(25)12-4-5-15(20-10-12)23-8-6-22(11-24)7-9-23/h1-5,10-11H,6-9H2,(H,21,25).
What are the key properties of N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109154974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).