N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide

C15H24N4O — CID 109124840

IUPACN-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NC(C)(C)C)nn2)C1
InChIInChI=1S/C15H24N4O/c1-11-6-5-9-19(10-11)13-8-7-12(17-18-13)14(20)16-15(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,20)
InChIKeyIPKYWJZJYONUDD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds2

About N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide

N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide (PubChem CID 109124840) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
PubChem CID109124840
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCC1CCCN(c2ccc(C(=O)NC(C)(C)C)nn2)C1
InChIInChI=1S/C15H24N4O/c1-11-6-5-9-19(10-11)13-8-7-12(17-18-13)14(20)16-15(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,20)
InChIKeyIPKYWJZJYONUDD-UHFFFAOYSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
N-(4-cyanophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126028
N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109311314
N,N-diethyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124404
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004
N-[2-(4-methoxyphenoxy)ethyl]-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124665
N-(2-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109125972
methyl 4-chloro-3-[[6-(3-methylpiperidin-1-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109125990

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide (CID 109124840) is N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide is CC1CCCN(c2ccc(C(=O)NC(C)(C)C)nn2)C1.
What is the InChIKey of N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is IPKYWJZJYONUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-6-5-9-19(10-11)13-8-7-12(17-18-13)14(20)16-15(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,20).
What are the key properties of N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide?
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109124840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).