N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide

C18H26N4O2 — CID 91917542

IUPACN-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NC1CC1
InChIInChI=1S/C18H26N4O2/c23-17(20-15-5-6-15)8-14-2-1-7-21(11-14)16-9-18(24)22(19-10-16)12-13-3-4-13/h9-10,13-15H,1-8,11-12H2,(H,20,23)
InChIKeyLLRLHAVNJCWRAV-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.54
Rot. Bonds6

About N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide

N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (PubChem CID 91917542) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
PubChem CID91917542
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NC1CC1
InChIInChI=1S/C18H26N4O2/c23-17(20-15-5-6-15)8-14-2-1-7-21(11-14)16-9-18(24)22(19-10-16)12-13-3-4-13/h9-10,13-15H,1-8,11-12H2,(H,20,23)
InChIKeyLLRLHAVNJCWRAV-UHFFFAOYSA-N
XLogP1.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (CID 91917542) is N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is O=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is LLRLHAVNJCWRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(20-15-5-6-15)8-14-2-1-7-21(11-14)16-9-18(24)22(19-10-16)12-13-3-4-13/h9-10,13-15H,1-8,11-12H2,(H,20,23).
What are the key properties of N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 91917542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).