6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide

C18H28ClN5O2 — CID 133338594

IUPAC6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide
SMILESCC1CN(CCC2CCN(c3nnc(Cl)cc3C(N)=O)CC2)CC(C)O1
InChIInChI=1S/C18H28ClN5O2/c1-12-10-23(11-13(2)26-12)6-3-14-4-7-24(8-5-14)18-15(17(20)25)9-16(19)21-22-18/h9,12-14H,3-8,10-11H2,1-2H3,(H2,20,25)
InChIKeyMUQQXLFHZVHSDF-UHFFFAOYSA-N
MW381.91 g/mol
LogP1.94
Rot. Bonds5

About 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide

6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide (PubChem CID 133338594) has the molecular formula C18H28ClN5O2 and a molecular weight of 381.91 g/mol. Its IUPAC name is 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide
PubChem CID133338594
Molecular FormulaC18H28ClN5O2
Molecular Weight381.91 g/mol
Exact Mass381.19
IUPAC Name6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide
SMILESCC1CN(CCC2CCN(c3nnc(Cl)cc3C(N)=O)CC2)CC(C)O1
InChIInChI=1S/C18H28ClN5O2/c1-12-10-23(11-13(2)26-12)6-3-14-4-7-24(8-5-14)18-15(17(20)25)9-16(19)21-22-18/h9,12-14H,3-8,10-11H2,1-2H3,(H2,20,25)
InChIKeyMUQQXLFHZVHSDF-UHFFFAOYSA-N
XLogP1.94
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide
CID 133341091
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133338628
1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 124615419
3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 124515157
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95973871
1-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-6-fluorophenyl]ethanone
CID 133338554
3-[[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]methyl]benzoic acid
CID 122029346
3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide
CID 97220067
6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide
CID 133465341
4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133338550

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide (CID 133338594) is 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide is CC1CN(CCC2CCN(c3nnc(Cl)cc3C(N)=O)CC2)CC(C)O1.
What is the InChIKey of 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide?
The InChIKey is MUQQXLFHZVHSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN5O2/c1-12-10-23(11-13(2)26-12)6-3-14-4-7-24(8-5-14)18-15(17(20)25)9-16(19)21-22-18/h9,12-14H,3-8,10-11H2,1-2H3,(H2,20,25).
What are the key properties of 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide?
6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 133338594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).