2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

C17H22N6O2 — CID 71872263

IUPAC2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCOC(CNc2cccnn2)C1)NCc1ccccn1
InChIInChI=1S/C17H22N6O2/c24-17(20-10-14-4-1-2-6-18-14)13-23-8-9-25-15(12-23)11-19-16-5-3-7-21-22-16/h1-7,15H,8-13H2,(H,19,22)(H,20,24)
InChIKeyPNEYDVKBCCZHMZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.30
Rot. Bonds7

About 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 71872263) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID71872263
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCOC(CNc2cccnn2)C1)NCc1ccccn1
InChIInChI=1S/C17H22N6O2/c24-17(20-10-14-4-1-2-6-18-14)13-23-8-9-25-15(12-23)11-19-16-5-3-7-21-22-16/h1-7,15H,8-13H2,(H,19,22)(H,20,24)
InChIKeyPNEYDVKBCCZHMZ-UHFFFAOYSA-N
XLogP0.30
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 71872263) is 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1CCOC(CNc2cccnn2)C1)NCc1ccccn1.
What is the InChIKey of 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is PNEYDVKBCCZHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-17(20-10-14-4-1-2-6-18-14)13-23-8-9-25-15(12-23)11-19-16-5-3-7-21-22-16/h1-7,15H,8-13H2,(H,19,22)(H,20,24).
What are the key properties of 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 71872263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).