N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide

C17H16Cl2N4O3 — CID 87017517

IUPACN-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H16Cl2N4O3/c18-10-4-5-12(11(19)9-10)20-16(25)14-3-1-2-8-23(14)17(26)13-6-7-15(24)22-21-13/h4-7,9,14H,1-3,8H2,(H,20,25)(H,22,24)
InChIKeyWFDIIJRYTNYCGF-UHFFFAOYSA-N
MW395.25 g/mol
LogP2.71
Rot. Bonds3

About N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide

N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide (PubChem CID 87017517) has the molecular formula C17H16Cl2N4O3 and a molecular weight of 395.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
PubChem CID87017517
Molecular FormulaC17H16Cl2N4O3
Molecular Weight395.25 g/mol
Exact Mass394.06
IUPAC NameN-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H16Cl2N4O3/c18-10-4-5-12(11(19)9-10)20-16(25)14-3-1-2-8-23(14)17(26)13-6-7-15(24)22-21-13/h4-7,9,14H,1-3,8H2,(H,20,25)(H,22,24)
InChIKeyWFDIIJRYTNYCGF-UHFFFAOYSA-N
XLogP2.71
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 78864921
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
N-[2-(cycloheptylamino)ethyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 119620890
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355515
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661857
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
CID 112830933
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide (CID 87017517) is N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCCCN1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is WFDIIJRYTNYCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3/c18-10-4-5-12(11(19)9-10)20-16(25)14-3-1-2-8-23(14)17(26)13-6-7-15(24)22-21-13/h4-7,9,14H,1-3,8H2,(H,20,25)(H,22,24).
What are the key properties of N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 395.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 87017517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).