3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide

C12H16Cl2N4O — CID 114038451

IUPAC3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide
SMILESCCN1CCC(NC(=O)c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C12H16Cl2N4O/c1-2-18-5-3-8(4-6-18)15-12(19)9-7-10(13)16-17-11(9)14/h7-8H,2-6H2,1H3,(H,15,19)
InChIKeyWPQOMPGNEIYPCR-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.00
Rot. Bonds3

About 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide

3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide (PubChem CID 114038451) has the molecular formula C12H16Cl2N4O and a molecular weight of 303.19 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide
PubChem CID114038451
Molecular FormulaC12H16Cl2N4O
Molecular Weight303.19 g/mol
Exact Mass302.07
IUPAC Name3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide
SMILESCCN1CCC(NC(=O)c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C12H16Cl2N4O/c1-2-18-5-3-8(4-6-18)15-12(19)9-7-10(13)16-17-11(9)14/h7-8H,2-6H2,1H3,(H,15,19)
InChIKeyWPQOMPGNEIYPCR-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 115540437
3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
CID 114122854
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
CID 106993304
2-chloro-N-(1-ethylpiperidin-4-yl)-5-nitrobenzamide
CID 61053666
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide
CID 80963448
N-(1-ethylpiperidin-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717406
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide (CID 114038451) is 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide is CCN1CCC(NC(=O)c2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide?
The InChIKey is WPQOMPGNEIYPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4O/c1-2-18-5-3-8(4-6-18)15-12(19)9-7-10(13)16-17-11(9)14/h7-8H,2-6H2,1H3,(H,15,19).
What are the key properties of 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide?
3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-ethylpiperidin-4-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 114038451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).