N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H20N4O2 — CID 47036196

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCN(CCNC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H20N4O2/c1-10-4-7-17(8-5-10)9-6-14-13(19)11-2-3-12(18)16-15-11/h2-3,10H,4-9H2,1H3,(H,14,19)(H,16,18)
InChIKeyUAXPQIHAWSWVJX-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.23
Rot. Bonds4

About N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 47036196) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID47036196
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCN(CCNC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H20N4O2/c1-10-4-7-17(8-5-10)9-6-14-13(19)11-2-3-12(18)16-15-11/h2-3,10H,4-9H2,1H3,(H,14,19)(H,16,18)
InChIKeyUAXPQIHAWSWVJX-UHFFFAOYSA-N
XLogP0.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 47036196) is N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CC1CCN(CCNC(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is UAXPQIHAWSWVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-4-7-17(8-5-10)9-6-14-13(19)11-2-3-12(18)16-15-11/h2-3,10H,4-9H2,1H3,(H,14,19)(H,16,18).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47036196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).