2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide

C17H27N5O2 — CID 71878645

IUPAC2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)16(24)18-10-6-15(23)22-11-7-13(8-12-22)20-14-5-4-9-19-21-14/h4-5,9,13H,6-8,10-12H2,1-3H3,(H,18,24)(H,20,21)
InChIKeyGYWLMCLNCPXVIP-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.43
Rot. Bonds5

About 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide

2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide (PubChem CID 71878645) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide
PubChem CID71878645
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)16(24)18-10-6-15(23)22-11-7-13(8-12-22)20-14-5-4-9-19-21-14/h4-5,9,13H,6-8,10-12H2,1-3H3,(H,18,24)(H,20,21)
InChIKeyGYWLMCLNCPXVIP-UHFFFAOYSA-N
XLogP1.43
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide 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 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide (CID 71878645) is 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide is CC(C)(C)C(=O)NCCC(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide?
The InChIKey is GYWLMCLNCPXVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-17(2,3)16(24)18-10-6-15(23)22-11-7-13(8-12-22)20-14-5-4-9-19-21-14/h4-5,9,13H,6-8,10-12H2,1-3H3,(H,18,24)(H,20,21).
What are the key properties of 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide?
2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide has a molecular weight of 333.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-oxo-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]propyl]propanamide is sourced from PubChem (CID 71878645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).