6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C14H19ClF3N5O — CID 164599044

IUPAC6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCN1CCC(CNc2cc(Cl)nnc2C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H19ClF3N5O/c1-23-4-2-9(3-5-23)7-19-10-6-11(15)21-22-12(10)13(24)20-8-14(16,17)18/h6,9H,2-5,7-8H2,1H3,(H,19,21)(H,20,24)
InChIKeyZTMGSFGURRFIOW-UHFFFAOYSA-N
MW365.79 g/mol
LogP2.18
Rot. Bonds5

About 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 164599044) has the molecular formula C14H19ClF3N5O and a molecular weight of 365.79 g/mol. Its IUPAC name is 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID164599044
Molecular FormulaC14H19ClF3N5O
Molecular Weight365.79 g/mol
Exact Mass365.12
IUPAC Name6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCN1CCC(CNc2cc(Cl)nnc2C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H19ClF3N5O/c1-23-4-2-9(3-5-23)7-19-10-6-11(15)21-22-12(10)13(24)20-8-14(16,17)18/h6,9H,2-5,7-8H2,1H3,(H,19,21)(H,20,24)
InChIKeyZTMGSFGURRFIOW-UHFFFAOYSA-N
XLogP2.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 164599044) is 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is CN1CCC(CNc2cc(Cl)nnc2C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is ZTMGSFGURRFIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N5O/c1-23-4-2-9(3-5-23)7-19-10-6-11(15)21-22-12(10)13(24)20-8-14(16,17)18/h6,9H,2-5,7-8H2,1H3,(H,19,21)(H,20,24).
What are the key properties of 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 365.79 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 164599044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).