2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide

C19H30N4O2 — CID 91917550

IUPAC2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C19H30N4O2/c1-3-8-21(2)18(24)10-16-5-4-9-22(13-16)17-11-19(25)23(20-12-17)14-15-6-7-15/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyGAQHOHHDCMBUMS-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.13
Rot. Bonds7

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

2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide (PubChem CID 91917550) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide
PubChem CID91917550
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C19H30N4O2/c1-3-8-21(2)18(24)10-16-5-4-9-22(13-16)17-11-19(25)23(20-12-17)14-15-6-7-15/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyGAQHOHHDCMBUMS-UHFFFAOYSA-N
XLogP2.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide 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 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide (CID 91917550) is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1.
What is the InChIKey of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide?
The InChIKey is GAQHOHHDCMBUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-8-21(2)18(24)10-16-5-4-9-22(13-16)17-11-19(25)23(20-12-17)14-15-6-7-15/h11-12,15-16H,3-10,13-14H2,1-2H3.
What are the key properties of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide?
2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide has a molecular weight of 346.48 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 91917550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).