[5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone

C20H33N5O4 — CID 123548689

IUPAC[5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone
SMILESCCNc1c(OC)nnc(C(=O)N2CCC(NC3CCOCC3OC)CC2)c1C
InChIInChI=1S/C20H33N5O4/c1-5-21-17-13(2)18(23-24-19(17)28-4)20(26)25-9-6-14(7-10-25)22-15-8-11-29-12-16(15)27-3/h14-16,22H,5-12H2,1-4H3,(H,21,23)
InChIKeyLBVKABHABFPMEQ-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.22
Rot. Bonds7

About [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone

[5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 123548689) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone
PubChem CID123548689
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Name[5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone
SMILESCCNc1c(OC)nnc(C(=O)N2CCC(NC3CCOCC3OC)CC2)c1C
InChIInChI=1S/C20H33N5O4/c1-5-21-17-13(2)18(23-24-19(17)28-4)20(26)25-9-6-14(7-10-25)22-15-8-11-29-12-16(15)27-3/h14-16,22H,5-12H2,1-4H3,(H,21,23)
InChIKeyLBVKABHABFPMEQ-UHFFFAOYSA-N
XLogP1.22
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone (CID 123548689) is [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone is CCNc1c(OC)nnc(C(=O)N2CCC(NC3CCOCC3OC)CC2)c1C.
What is the InChIKey of [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is LBVKABHABFPMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-5-21-17-13(2)18(23-24-19(17)28-4)20(26)25-9-6-14(7-10-25)22-15-8-11-29-12-16(15)27-3/h14-16,22H,5-12H2,1-4H3,(H,21,23).
What are the key properties of [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone?
[5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 407.52 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-6-methoxy-4-methylpyridazin-3-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 123548689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).