N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide

C17H26N4O2 — CID 45220484

IUPACN-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCN(C2CCCCCC2)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H26N4O2/c22-16-10-9-15(19-20-16)17(23)18-13-6-5-11-21(12-13)14-7-3-1-2-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,18,23)(H,20,22)
InChIKeyNPQHQRXPGKMVLO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.69
Rot. Bonds3

About N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 45220484) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID45220484
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCN(C2CCCCCC2)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H26N4O2/c22-16-10-9-15(19-20-16)17(23)18-13-6-5-11-21(12-13)14-7-3-1-2-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,18,23)(H,20,22)
InChIKeyNPQHQRXPGKMVLO-UHFFFAOYSA-N
XLogP1.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 45220484) is N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC1CCCN(C2CCCCCC2)C1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is NPQHQRXPGKMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16-10-9-15(19-20-16)17(23)18-13-6-5-11-21(12-13)14-7-3-1-2-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,18,23)(H,20,22).
What are the key properties of N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylpiperidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 45220484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).