N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide

C17H27N5O2 — CID 70755704

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCn1ncc(N2CCC(CNC(=O)CN3CCCC3)CC2)cc1=O
InChIInChI=1S/C17H27N5O2/c1-20-17(24)10-15(12-19-20)22-8-4-14(5-9-22)11-18-16(23)13-21-6-2-3-7-21/h10,12,14H,2-9,11,13H2,1H3,(H,18,23)
InChIKeyIMZVEAKPNHIZJB-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.21
Rot. Bonds5

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 70755704) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID70755704
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESCn1ncc(N2CCC(CNC(=O)CN3CCCC3)CC2)cc1=O
InChIInChI=1S/C17H27N5O2/c1-20-17(24)10-15(12-19-20)22-8-4-14(5-9-22)11-18-16(23)13-21-6-2-3-7-21/h10,12,14H,2-9,11,13H2,1H3,(H,18,23)
InChIKeyIMZVEAKPNHIZJB-UHFFFAOYSA-N
XLogP0.21
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide (CID 70755704) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide is Cn1ncc(N2CCC(CNC(=O)CN3CCCC3)CC2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is IMZVEAKPNHIZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20-17(24)10-15(12-19-20)22-8-4-14(5-9-22)11-18-16(23)13-21-6-2-3-7-21/h10,12,14H,2-9,11,13H2,1H3,(H,18,23).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 333.44 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 70755704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).