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

C17H22N6O2 — CID 96512525

IUPAC2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCO[C@H](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)/t15-/m1/s1
InChIKeyPNEYDVKBCCZHMZ-OAHLLOKOSA-N
MW342.40 g/mol
LogP0.30
Rot. Bonds7

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

2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 96512525) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID96512525
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCO[C@H](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)/t15-/m1/s1
InChIKeyPNEYDVKBCCZHMZ-OAHLLOKOSA-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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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
CID 96512685
N-propan-2-yl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512499
N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
CID 167864026
N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872271
N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512678
N-[[(2R)-4-(oxan-4-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512573
N-[[(2R)-4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512563
N-[[4-[(5-chlorothiophen-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928020
N-[[4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928034
N-[[(2R)-4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512555
N-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872216
N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872217

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 96512525) is 2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1CCO[C@H](CNc2cccnn2)C1)NCc1ccccn1.
What is the InChIKey of 2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is PNEYDVKBCCZHMZ-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2R)-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-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 96512525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).