2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one

C20H28N4O2 — CID 24817179

IUPAC2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-14(2)15-6-8-16(9-7-15)21-17-5-4-12-24(13-17)20(26)18-10-11-19(25)23(3)22-18/h6-9,14,17,21H,4-5,10-13H2,1-3H3
InChIKeyFRMVXUPVFXRYNR-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 24817179) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID24817179
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-14(2)15-6-8-16(9-7-15)21-17-5-4-12-24(13-17)20(26)18-10-11-19(25)23(3)22-18/h6-9,14,17,21H,4-5,10-13H2,1-3H3
InChIKeyFRMVXUPVFXRYNR-UHFFFAOYSA-N
XLogP2.82
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 24817179) is 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is CC(C)c1ccc(NC2CCCN(C(=O)C3=NN(C)C(=O)CC3)C2)cc1.
What is the InChIKey of 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is FRMVXUPVFXRYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)15-6-8-16(9-7-15)21-17-5-4-12-24(13-17)20(26)18-10-11-19(25)23(3)22-18/h6-9,14,17,21H,4-5,10-13H2,1-3H3.
What are the key properties of 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 356.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 24817179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).