[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone

C23H27N5O — CID 121053870

IUPAC[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C23H27N5O/c1-3-26(4-2)21-11-12-22(25-24-21)27-13-15-28(16-14-27)23(29)20-10-9-18-7-5-6-8-19(18)17-20/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyJNYDPILHBHILKZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.44
Rot. Bonds5

About [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone

[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 121053870) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID121053870
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C23H27N5O/c1-3-26(4-2)21-11-12-22(25-24-21)27-13-15-28(16-14-27)23(29)20-10-9-18-7-5-6-8-19(18)17-20/h5-12,17H,3-4,13-16H2,1-2H3
InChIKeyJNYDPILHBHILKZ-UHFFFAOYSA-N
XLogP3.44
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053372
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 56699157
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335617
[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053925
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341422
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122335628
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122335476
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(difluoromethylsulfonyl)phenyl]methanone
CID 122335549
1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122335567
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 122335542
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 121053866

Frequently Asked Questions

What is the IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone (CID 121053870) is [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone is CCN(CC)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1.
What is the InChIKey of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is JNYDPILHBHILKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-26(4-2)21-11-12-22(25-24-21)27-13-15-28(16-14-27)23(29)20-10-9-18-7-5-6-8-19(18)17-20/h5-12,17H,3-4,13-16H2,1-2H3.
What are the key properties of [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 389.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 121053870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).