[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone

C14H22N4O — CID 109111348

IUPAC[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C14H22N4O/c1-3-11(2)15-13-8-7-12(16-17-13)14(19)18-9-5-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,17)
InChIKeyKERWPSNBFVPMRL-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.31
Rot. Bonds4

About [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone

[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 109111348) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
PubChem CID109111348
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCCCC2)nn1
InChIInChI=1S/C14H22N4O/c1-3-11(2)15-13-8-7-12(16-17-13)14(19)18-9-5-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,17)
InChIKeyKERWPSNBFVPMRL-UHFFFAOYSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109111350
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109111412
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458122
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
6-(butan-2-ylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109111349
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
N-[6-(butan-2-ylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113038564

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone (CID 109111348) is [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone is CCC(C)Nc1ccc(C(=O)N2CCCCC2)nn1.
What is the InChIKey of [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is KERWPSNBFVPMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-11(2)15-13-8-7-12(16-17-13)14(19)18-9-5-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone?
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 262.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109111348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).