N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H20N4O3 — CID 60776217

IUPACN-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H20N4O3/c1-7(2)6-9(11(18)13-3)14-12(19)8-4-5-10(17)16-15-8/h7,9H,4-6H2,1-3H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyWWEXIPYHNQKPFW-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.47
Rot. Bonds5

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

N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60776217) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60776217
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H20N4O3/c1-7(2)6-9(11(18)13-3)14-12(19)8-4-5-10(17)16-15-8/h7,9H,4-6H2,1-3H3,(H,13,18)(H,14,19)(H,16,17)
InChIKeyWWEXIPYHNQKPFW-UHFFFAOYSA-N
XLogP-0.47
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60776217) is N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CNC(=O)C(CC(C)C)NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is WWEXIPYHNQKPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-7(2)6-9(11(18)13-3)14-12(19)8-4-5-10(17)16-15-8/h7,9H,4-6H2,1-3H3,(H,13,18)(H,14,19)(H,16,17).
What are the key properties of N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60776217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).