5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one

C20H29N5O2 — CID 45232312

IUPAC5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(CNC3CCN(Cc4ccco4)CC3)C2)cc1=O
InChIInChI=1S/C20H29N5O2/c1-23-20(26)11-18(13-22-23)25-9-4-16(14-25)12-21-17-5-7-24(8-6-17)15-19-3-2-10-27-19/h2-3,10-11,13,16-17,21H,4-9,12,14-15H2,1H3
InChIKeyLDYAPZDCCCOGOB-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.45
Rot. Bonds6

About 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one

5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 45232312) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
PubChem CID45232312
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(CNC3CCN(Cc4ccco4)CC3)C2)cc1=O
InChIInChI=1S/C20H29N5O2/c1-23-20(26)11-18(13-22-23)25-9-4-16(14-25)12-21-17-5-7-24(8-6-17)15-19-3-2-10-27-19/h2-3,10-11,13,16-17,21H,4-9,12,14-15H2,1H3
InChIKeyLDYAPZDCCCOGOB-UHFFFAOYSA-N
XLogP1.45
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one (CID 45232312) is 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCC(CNC3CCN(Cc4ccco4)CC3)C2)cc1=O.
What is the InChIKey of 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is LDYAPZDCCCOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-23-20(26)11-18(13-22-23)25-9-4-16(14-25)12-21-17-5-7-24(8-6-17)15-19-3-2-10-27-19/h2-3,10-11,13,16-17,21H,4-9,12,14-15H2,1H3.
What are the key properties of 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one?
5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 371.49 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[[1-(furan-2-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 45232312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).