1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide

C14H21N3O2 — CID 47117095

IUPAC1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)C2CC2)ccc1=O
InChIInChI=1S/C14H21N3O2/c1-3-4-9-17-13(18)8-7-12(16-17)14(19)15-10(2)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,19)
InChIKeyRDZISCSJWGTQQP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.57
Rot. Bonds6

About 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 47117095) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide
PubChem CID47117095
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(C)C2CC2)ccc1=O
InChIInChI=1S/C14H21N3O2/c1-3-4-9-17-13(18)8-7-12(16-17)14(19)15-10(2)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,19)
InChIKeyRDZISCSJWGTQQP-UHFFFAOYSA-N
XLogP1.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
N-[(2S)-3-methylbutan-2-yl]-6-oxo-N-prop-2-enyl-1H-pyridazine-3-carboxamide
CID 40151649
N-(1-cyclopropylethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 45850331
(2S)-2-[[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]amino]propanamide
CID 129531435
2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 122246444
(2R)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530568
(2S)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530569
6-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1H-pyridazine-3-carboxamide
CID 132358045
N-[(1R,2R)-2-fluorocyclopentyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 137947143

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide (CID 47117095) is 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC(C)C2CC2)ccc1=O.
What is the InChIKey of 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is RDZISCSJWGTQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-4-9-17-13(18)8-7-12(16-17)14(19)15-10(2)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,19).
What are the key properties of 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(1-cyclopropylethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 47117095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).