N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide

C21H28N4O2 — CID 16731522

IUPACN-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(Oc3ccccc3)CC2)nn1
InChIInChI=1S/C21H28N4O2/c1-16(2)10-13-22-21(26)19-8-9-20(24-23-19)25-14-11-18(12-15-25)27-17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,22,26)
InChIKeyBWZBUOKMQZWMNT-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.30
Rot. Bonds7

About N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide

N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide (PubChem CID 16731522) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide
PubChem CID16731522
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCC(Oc3ccccc3)CC2)nn1
InChIInChI=1S/C21H28N4O2/c1-16(2)10-13-22-21(26)19-8-9-20(24-23-19)25-14-11-18(12-15-25)27-17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,22,26)
InChIKeyBWZBUOKMQZWMNT-UHFFFAOYSA-N
XLogP3.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide (CID 16731522) is N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCC(Oc3ccccc3)CC2)nn1.
What is the InChIKey of N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is BWZBUOKMQZWMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16(2)10-13-22-21(26)19-8-9-20(24-23-19)25-14-11-18(12-15-25)27-17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,22,26).
What are the key properties of N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide?
N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-(4-phenoxypiperidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 16731522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).