[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

C17H27N5O — CID 119647808

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESCCNCC1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C17H27N5O/c1-2-18-13-14-7-11-22(12-8-14)17(23)15-5-6-16(20-19-15)21-9-3-4-10-21/h5-6,14,18H,2-4,7-13H2,1H3
InChIKeyNQXTVHRXZXWYGJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.54
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (PubChem CID 119647808) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
PubChem CID119647808
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
SMILESCCNCC1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C17H27N5O/c1-2-18-13-14-7-11-22(12-8-14)17(23)15-5-6-16(20-19-15)21-9-3-4-10-21/h5-6,14,18H,2-4,7-13H2,1H3
InChIKeyNQXTVHRXZXWYGJ-UHFFFAOYSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
[(3R)-3-(methylamino)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124587818
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113322
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone (CID 119647808) is [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is CCNCC1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
The InChIKey is NQXTVHRXZXWYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-18-13-14-7-11-22(12-8-14)17(23)15-5-6-16(20-19-15)21-9-3-4-10-21/h5-6,14,18H,2-4,7-13H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone has a molecular weight of 317.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 119647808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).