N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H21N3O2 — CID 43398155

IUPACN-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCCC(C)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H21N3O2/c1-3-4-5-6-9(2)13-12(17)10-7-8-11(16)15-14-10/h9H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyMLLFWDHHUWRGJT-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.34
Rot. Bonds6

About N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 43398155) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID43398155
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCCCCC(C)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H21N3O2/c1-3-4-5-6-9(2)13-12(17)10-7-8-11(16)15-14-10/h9H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyMLLFWDHHUWRGJT-UHFFFAOYSA-N
XLogP1.34
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60651355
N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103861422
tert-butyl (2R)-3-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]butanoate
CID 80997639
3-(2-hydroxydodecyl)-4,5-dihydro-1H-pyridazin-6-one
CID 14616500
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108737152
5-bromo-N-heptan-2-ylpyridine-2-carboxamide
CID 55153825
5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide
CID 61478998
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
3-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 95217019
N-[cyano-(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110664185
5-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]hexanoic acid
CID 82854892

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 43398155) is N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCCCCC(C)NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is MLLFWDHHUWRGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-4-5-6-9(2)13-12(17)10-7-8-11(16)15-14-10/h9H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 43398155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).