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

C21H28N4O2 — CID 3237431

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC1CCCCN1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H28N4O2/c1-17-7-5-6-14-24(17)16-13-22-20(26)12-15-25-21(27)11-10-19(23-25)18-8-3-2-4-9-18/h2-4,8-11,17H,5-7,12-16H2,1H3,(H,22,26)
InChIKeyKJFVHRSELZHMJK-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.29
Rot. Bonds7

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

N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (PubChem CID 3237431) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
PubChem CID3237431
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC1CCCCN1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C21H28N4O2/c1-17-7-5-6-14-24(17)16-13-22-20(26)12-15-25-21(27)11-10-19(23-25)18-8-3-2-4-9-18/h2-4,8-11,17H,5-7,12-16H2,1H3,(H,22,26)
InChIKeyKJFVHRSELZHMJK-UHFFFAOYSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (CID 3237431) is N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is CC1CCCCN1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The InChIKey is KJFVHRSELZHMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17-7-5-6-14-24(17)16-13-22-20(26)12-15-25-21(27)11-10-19(23-25)18-8-3-2-4-9-18/h2-4,8-11,17H,5-7,12-16H2,1H3,(H,22,26).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is sourced from PubChem (CID 3237431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).