6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide

C19H30N6O2 — CID 133339123

IUPAC6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCN1CCN(C(=O)CC2CCN(c3ccc(C(=O)NC)nn3)CC2)CC1
InChIInChI=1S/C19H30N6O2/c1-3-23-10-12-25(13-11-23)18(26)14-15-6-8-24(9-7-15)17-5-4-16(21-22-17)19(27)20-2/h4-5,15H,3,6-14H2,1-2H3,(H,20,27)
InChIKeyHJYGZRLAMIFWKN-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.61
Rot. Bonds5

About 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide

6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 133339123) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID133339123
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCN1CCN(C(=O)CC2CCN(c3ccc(C(=O)NC)nn3)CC2)CC1
InChIInChI=1S/C19H30N6O2/c1-3-23-10-12-25(13-11-23)18(26)14-15-6-8-24(9-7-15)17-5-4-16(21-22-17)19(27)20-2/h4-5,15H,3,6-14H2,1-2H3,(H,20,27)
InChIKeyHJYGZRLAMIFWKN-UHFFFAOYSA-N
XLogP0.61
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide 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 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide (CID 133339123) is 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide is CCN1CCN(C(=O)CC2CCN(c3ccc(C(=O)NC)nn3)CC2)CC1.
What is the InChIKey of 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is HJYGZRLAMIFWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-3-23-10-12-25(13-11-23)18(26)14-15-6-8-24(9-7-15)17-5-4-16(21-22-17)19(27)20-2/h4-5,15H,3,6-14H2,1-2H3,(H,20,27).
What are the key properties of 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133339123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).