4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide

C17H18Cl2N4O3 — CID 50915837

IUPAC4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
SMILESCn1nccc(NC(=O)N2CCC(Oc3cc(Cl)ccc3Cl)CC2)c1=O
InChIInChI=1S/C17H18Cl2N4O3/c1-22-16(24)14(4-7-20-22)21-17(25)23-8-5-12(6-9-23)26-15-10-11(18)2-3-13(15)19/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,21,25)
InChIKeyCGLQEBMKVZOATC-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.16
Rot. Bonds3

About 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide

4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide (PubChem CID 50915837) has the molecular formula C17H18Cl2N4O3 and a molecular weight of 397.26 g/mol. Its IUPAC name is 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
PubChem CID50915837
Molecular FormulaC17H18Cl2N4O3
Molecular Weight397.26 g/mol
Exact Mass396.08
IUPAC Name4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
SMILESCn1nccc(NC(=O)N2CCC(Oc3cc(Cl)ccc3Cl)CC2)c1=O
InChIInChI=1S/C17H18Cl2N4O3/c1-22-16(24)14(4-7-20-22)21-17(25)23-8-5-12(6-9-23)26-15-10-11(18)2-3-13(15)19/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,21,25)
InChIKeyCGLQEBMKVZOATC-UHFFFAOYSA-N
XLogP3.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide (CID 50915837) is 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide is Cn1nccc(NC(=O)N2CCC(Oc3cc(Cl)ccc3Cl)CC2)c1=O.
What is the InChIKey of 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide?
The InChIKey is CGLQEBMKVZOATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O3/c1-22-16(24)14(4-7-20-22)21-17(25)23-8-5-12(6-9-23)26-15-10-11(18)2-3-13(15)19/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,21,25).
What are the key properties of 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide?
4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide has a molecular weight of 397.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 50915837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).