N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

C16H23N3O2 — CID 29261484

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCC2=CCCCC2)ccc1=O
InChIInChI=1S/C16H23N3O2/c1-2-12-19-15(20)9-8-14(18-19)16(21)17-11-10-13-6-4-3-5-7-13/h6,8-9H,2-5,7,10-12H2,1H3,(H,17,21)
InChIKeyGKXHFQQPCQKOTM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.27
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 29261484) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID29261484
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCC2=CCCCC2)ccc1=O
InChIInChI=1S/C16H23N3O2/c1-2-12-19-15(20)9-8-14(18-19)16(21)17-11-10-13-6-4-3-5-7-13/h6,8-9H,2-5,7,10-12H2,1H3,(H,17,21)
InChIKeyGKXHFQQPCQKOTM-UHFFFAOYSA-N
XLogP2.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 2574206
N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[6-oxo-3-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]propanamide
CID 145875385
N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 34742195
2,2-dimethyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
CID 92128076
N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)butanamide
CID 163453782
N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)butanamide
CID 163508369
N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
CID 163761359
N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)acetamide
CID 163837087
2,2-dimethyl-N-(2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl)propanamide
CID 163924526
4,6-dimethyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 166162675
2-methyl-N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
CID 166979455

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 29261484) is N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCCC2=CCCCC2)ccc1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is GKXHFQQPCQKOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-12-19-15(20)9-8-14(18-19)16(21)17-11-10-13-6-4-3-5-7-13/h6,8-9H,2-5,7,10-12H2,1H3,(H,17,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 29261484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).