6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide

C13H19ClN4O — CID 133341091

IUPAC6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide
SMILESCC(C)C1CCN(c2nnc(Cl)cc2C(N)=O)CC1
InChIInChI=1S/C13H19ClN4O/c1-8(2)9-3-5-18(6-4-9)13-10(12(15)19)7-11(14)16-17-13/h7-9H,3-6H2,1-2H3,(H2,15,19)
InChIKeyYIDLIQSSKNGBCI-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.10
Rot. Bonds3

About 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide

6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide (PubChem CID 133341091) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide
PubChem CID133341091
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide
SMILESCC(C)C1CCN(c2nnc(Cl)cc2C(N)=O)CC1
InChIInChI=1S/C13H19ClN4O/c1-8(2)9-3-5-18(6-4-9)13-10(12(15)19)7-11(14)16-17-13/h7-9H,3-6H2,1-2H3,(H2,15,19)
InChIKeyYIDLIQSSKNGBCI-UHFFFAOYSA-N
XLogP2.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide (CID 133341091) is 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide is CC(C)C1CCN(c2nnc(Cl)cc2C(N)=O)CC1.
What is the InChIKey of 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide?
The InChIKey is YIDLIQSSKNGBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-8(2)9-3-5-18(6-4-9)13-10(12(15)19)7-11(14)16-17-13/h7-9H,3-6H2,1-2H3,(H2,15,19).
What are the key properties of 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide?
6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 133341091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).