N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide

C22H30N4O — CID 109125114

IUPACN-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)N(Cc2ccccc2)C(C)C)nn1
InChIInChI=1S/C22H30N4O/c1-4-19-12-8-9-15-25(19)21-14-13-20(23-24-21)22(27)26(17(2)3)16-18-10-6-5-7-11-18/h5-7,10-11,13-14,17,19H,4,8-9,12,15-16H2,1-3H3
InChIKeyYZJMCSHEYMHVNL-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.30
Rot. Bonds6

About N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide

N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109125114) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109125114
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)N(Cc2ccccc2)C(C)C)nn1
InChIInChI=1S/C22H30N4O/c1-4-19-12-8-9-15-25(19)21-14-13-20(23-24-21)22(27)26(17(2)3)16-18-10-6-5-7-11-18/h5-7,10-11,13-14,17,19H,4,8-9,12,15-16H2,1-3H3
InChIKeyYZJMCSHEYMHVNL-UHFFFAOYSA-N
XLogP4.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109120599
N-benzyl-4-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109217206
6-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109117118
6-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111233
N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503471
N-[2-(dimethylamino)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109115393
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
CID 109189130
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109123335
6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide
CID 116640255
N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide (CID 109125114) is N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide is CCC1CCCCN1c1ccc(C(=O)N(Cc2ccccc2)C(C)C)nn1.
What is the InChIKey of N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is YZJMCSHEYMHVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-19-12-8-9-15-25(19)21-14-13-20(23-24-21)22(27)26(17(2)3)16-18-10-6-5-7-11-18/h5-7,10-11,13-14,17,19H,4,8-9,12,15-16H2,1-3H3.
What are the key properties of N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide?
N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109125114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).