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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Related Compounds

4-(2-bromo-4,5-difluorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
CID 50916175
4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
CID 50915680
4-[[2-[4-(5-bromo-2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-2-methylpyridazin-3-one
CID 50917622
4-[(E)-3-[4-[2-chloro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]-2-methylpyridazin-3-one
CID 50917999
4-chloro-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199543
N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637156
6-[4-(2,5-dichlorophenoxy)piperidin-1-yl]pyridazine-3-carboxylic acid
CID 16731863
4-[[2-[4-[2-chloro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]amino]-5-methoxy-2-methylpyridazin-3-one
CID 50915504
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 113282412
4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
CID 156741733
N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162726

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).