2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one

C19H30N4O2 — CID 122139461

IUPAC2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
SMILESCC(C)N(C)c1cnn(C2CCCN(CC3CCC=CO3)C2)c(=O)c1
InChIInChI=1S/C19H30N4O2/c1-15(2)21(3)17-11-19(24)23(20-12-17)16-7-6-9-22(13-16)14-18-8-4-5-10-25-18/h5,10-12,15-16,18H,4,6-9,13-14H2,1-3H3
InChIKeyOPDRMGUFJQAVRH-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.42
Rot. Bonds5

About 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one

2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one (PubChem CID 122139461) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
PubChem CID122139461
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
SMILESCC(C)N(C)c1cnn(C2CCCN(CC3CCC=CO3)C2)c(=O)c1
InChIInChI=1S/C19H30N4O2/c1-15(2)21(3)17-11-19(24)23(20-12-17)16-7-6-9-22(13-16)14-18-8-4-5-10-25-18/h5,10-12,15-16,18H,4,6-9,13-14H2,1-3H3
InChIKeyOPDRMGUFJQAVRH-UHFFFAOYSA-N
XLogP2.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one?
The IUPAC name of 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one (CID 122139461) is 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one?
The canonical SMILES for 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one is CC(C)N(C)c1cnn(C2CCCN(CC3CCC=CO3)C2)c(=O)c1.
What is the InChIKey of 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one?
The InChIKey is OPDRMGUFJQAVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(2)21(3)17-11-19(24)23(20-12-17)16-7-6-9-22(13-16)14-18-8-4-5-10-25-18/h5,10-12,15-16,18H,4,6-9,13-14H2,1-3H3.
What are the key properties of 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one?
2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one has a molecular weight of 346.48 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one is sourced from PubChem (CID 122139461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).