N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H16N4O3 — CID 115569713

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCNC(=O)C2CC2)=NN1
InChIInChI=1S/C11H16N4O3/c16-9-4-3-8(14-15-9)11(18)13-6-5-12-10(17)7-1-2-7/h7H,1-6H2,(H,12,17)(H,13,18)(H,15,16)
InChIKeyWUXJYIZHMNNVMJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.11
Rot. Bonds5

About N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 115569713) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID115569713
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCNC(=O)C2CC2)=NN1
InChIInChI=1S/C11H16N4O3/c16-9-4-3-8(14-15-9)11(18)13-6-5-12-10(17)7-1-2-7/h7H,1-6H2,(H,12,17)(H,13,18)(H,15,16)
InChIKeyWUXJYIZHMNNVMJ-UHFFFAOYSA-N
XLogP-1.11
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 79395899
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4881394
N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742789
6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63826133
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103770322
N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742749
N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 62652057
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103754236
6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793378

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 115569713) is N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCNC(=O)C2CC2)=NN1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is WUXJYIZHMNNVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9-4-3-8(14-15-9)11(18)13-6-5-12-10(17)7-1-2-7/h7H,1-6H2,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 115569713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).