N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide

C18H26N6O2 — CID 70715840

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)n1cccn1
InChIInChI=1S/C18H26N6O2/c1-3-16(24-8-4-7-20-24)18(26)19-12-14-5-9-23(10-6-14)15-11-17(25)22(2)21-13-15/h4,7-8,11,13-14,16H,3,5-6,9-10,12H2,1-2H3,(H,19,26)
InChIKeyWLHUIGJJOIFNKY-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.96
Rot. Bonds6

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 70715840) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide
PubChem CID70715840
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)n1cccn1
InChIInChI=1S/C18H26N6O2/c1-3-16(24-8-4-7-20-24)18(26)19-12-14-5-9-23(10-6-14)15-11-17(25)22(2)21-13-15/h4,7-8,11,13-14,16H,3,5-6,9-10,12H2,1-2H3,(H,19,26)
InChIKeyWLHUIGJJOIFNKY-UHFFFAOYSA-N
XLogP0.96
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-pyrazol-1-ylbutanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide (CID 70715840) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)n1cccn1.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is WLHUIGJJOIFNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-16(24-8-4-7-20-24)18(26)19-12-14-5-9-23(10-6-14)15-11-17(25)22(2)21-13-15/h4,7-8,11,13-14,16H,3,5-6,9-10,12H2,1-2H3,(H,19,26).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 358.45 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyrazol-1-ylbutanamide is sourced from PubChem (CID 70715840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).