N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

C22H30N4O2 — CID 3236030

IUPACN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC1CCCC(C)N1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C22H30N4O2/c1-17-7-6-8-18(2)25(17)16-14-23-21(27)13-15-26-22(28)12-11-20(24-26)19-9-4-3-5-10-19/h3-5,9-12,17-18H,6-8,13-16H2,1-2H3,(H,23,27)
InChIKeySGCGYHJFGZBSBT-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.68
Rot. Bonds7

About N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (PubChem CID 3236030) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
PubChem CID3236030
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC1CCCC(C)N1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C22H30N4O2/c1-17-7-6-8-18(2)25(17)16-14-23-21(27)13-15-26-22(28)12-11-20(24-26)19-9-4-3-5-10-19/h3-5,9-12,17-18H,6-8,13-16H2,1-2H3,(H,23,27)
InChIKeySGCGYHJFGZBSBT-UHFFFAOYSA-N
XLogP2.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The IUPAC name of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (CID 3236030) is N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is CC1CCCC(C)N1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The InChIKey is SGCGYHJFGZBSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-7-6-8-18(2)25(17)16-14-23-21(27)13-15-26-22(28)12-11-20(24-26)19-9-4-3-5-10-19/h3-5,9-12,17-18H,6-8,13-16H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is sourced from PubChem (CID 3236030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).