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

C14H22N4O2 — CID 30541110

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C14H22N4O2/c1-11-5-9-18(10-6-11)8-2-7-15-14(20)12-3-4-13(19)17-16-12/h3-4,11H,2,5-10H2,1H3,(H,15,20)(H,17,19)
InChIKeyWZQQIGLEACHIFB-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.62
Rot. Bonds5

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

N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30541110) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30541110
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C14H22N4O2/c1-11-5-9-18(10-6-11)8-2-7-15-14(20)12-3-4-13(19)17-16-12/h3-4,11H,2,5-10H2,1H3,(H,15,20)(H,17,19)
InChIKeyWZQQIGLEACHIFB-UHFFFAOYSA-N
XLogP0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 30541110) is N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is CC1CCN(CCCNC(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is WZQQIGLEACHIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-5-9-18(10-6-11)8-2-7-15-14(20)12-3-4-13(19)17-16-12/h3-4,11H,2,5-10H2,1H3,(H,15,20)(H,17,19).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30541110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).