N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide

C21H28N4O — CID 109120599

IUPACN-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)N(CC)Cc2ccccc2)nn1
InChIInChI=1S/C21H28N4O/c1-3-18-12-8-9-15-25(18)20-14-13-19(22-23-20)21(26)24(4-2)16-17-10-6-5-7-11-17/h5-7,10-11,13-14,18H,3-4,8-9,12,15-16H2,1-2H3
InChIKeyRIINZTHALHWKGI-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.91
Rot. Bonds6

About N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide

N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide (PubChem CID 109120599) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
PubChem CID109120599
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)N(CC)Cc2ccccc2)nn1
InChIInChI=1S/C21H28N4O/c1-3-18-12-8-9-15-25(18)20-14-13-19(22-23-20)21(26)24(4-2)16-17-10-6-5-7-11-17/h5-7,10-11,13-14,18H,3-4,8-9,12,15-16H2,1-2H3
InChIKeyRIINZTHALHWKGI-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125114
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109258347
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
N-[2-(dimethylamino)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109115393
6-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111233
N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
CID 109189130
N-benzyl-N-(2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027787
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108947324
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
6-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109125838

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide (CID 109120599) is N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide is CCC1CCCCN1c1ccc(C(=O)N(CC)Cc2ccccc2)nn1.
What is the InChIKey of N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is RIINZTHALHWKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-18-12-8-9-15-25(18)20-14-13-19(22-23-20)21(26)24(4-2)16-17-10-6-5-7-11-17/h5-7,10-11,13-14,18H,3-4,8-9,12,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide?
N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109120599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).