N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H20N4O2 — CID 54968046

IUPACN-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(CCN(C)C)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H20N4O2/c1-8(6-7-15(2)3)12-11(17)9-4-5-10(16)14-13-9/h8H,4-7H2,1-3H3,(H,12,17)(H,14,16)
InChIKeyOLEVQQYCAHWHRD-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.29
Rot. Bonds5

About N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 54968046) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID54968046
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCC(CCN(C)C)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H20N4O2/c1-8(6-7-15(2)3)12-11(17)9-4-5-10(16)14-13-9/h8H,4-7H2,1-3H3,(H,12,17)(H,14,16)
InChIKeyOLEVQQYCAHWHRD-UHFFFAOYSA-N
XLogP-0.29
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 54968046) is N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CC(CCN(C)C)NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is OLEVQQYCAHWHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(6-7-15(2)3)12-11(17)9-4-5-10(16)14-13-9/h8H,4-7H2,1-3H3,(H,12,17)(H,14,16).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 54968046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).