6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide

C14H22N4O3 — CID 82684600

IUPAC6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(OCCO)CC2)nn1
InChIInChI=1S/C14H22N4O3/c1-17(2)14(20)12-3-4-13(16-15-12)18-7-5-11(6-8-18)21-10-9-19/h3-4,11,19H,5-10H2,1-2H3
InChIKeyKTWJTJMECICGBX-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.16
Rot. Bonds5

About 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide

6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide (PubChem CID 82684600) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
PubChem CID82684600
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(OCCO)CC2)nn1
InChIInChI=1S/C14H22N4O3/c1-17(2)14(20)12-3-4-13(16-15-12)18-7-5-11(6-8-18)21-10-9-19/h3-4,11,19H,5-10H2,1-2H3
InChIKeyKTWJTJMECICGBX-UHFFFAOYSA-N
XLogP0.16
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-6-morpholinopyridazine-3-carboxamide
CID 109112982
[6-(Dimethylamino)pyridazin-3-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 53579751
[6-(Dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]methanone
CID 53590130
[4-(2-Hydroxypropyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 53625217
[6-(Dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802679
[6-(Dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 56803209
[6-(Dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone
CID 56803211
[6-(Dimethylamino)pyridazin-3-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 72139701
N-methyl-6-(piperazin-1-yl)pyridazine-3-carboxamide dihydrochloride
CID 165943092
6-(2,2-dimethylmorpholin-4-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 56793169
N-methyl-6-morpholino-N-phenylpyridazine-3-carboxamide
CID 71778586
6-[4-(2-Methylpropyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 71970531

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide (CID 82684600) is 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(OCCO)CC2)nn1.
What is the InChIKey of 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide?
The InChIKey is KTWJTJMECICGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(2)14(20)12-3-4-13(16-15-12)18-7-5-11(6-8-18)21-10-9-19/h3-4,11,19H,5-10H2,1-2H3.
What are the key properties of 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide?
6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyethoxy)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide is sourced from PubChem (CID 82684600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).