(2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one

C16H25N5O2 — CID 129370384

IUPAC(2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one
SMILESC[C@H](NC[C@H]1CCCN1c1cccnn1)C(=O)N1CCOCC1
InChIInChI=1S/C16H25N5O2/c1-13(16(22)20-8-10-23-11-9-20)17-12-14-4-3-7-21(14)15-5-2-6-18-19-15/h2,5-6,13-14,17H,3-4,7-12H2,1H3/t13-,14+/m0/s1
InChIKeyBFAXVJPOEWNTIH-UONOGXRCSA-N
MW319.41 g/mol
LogP0.28
Rot. Bonds5

About (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one

(2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one (PubChem CID 129370384) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one
PubChem CID129370384
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one
SMILESC[C@H](NC[C@H]1CCCN1c1cccnn1)C(=O)N1CCOCC1
InChIInChI=1S/C16H25N5O2/c1-13(16(22)20-8-10-23-11-9-20)17-12-14-4-3-7-21(14)15-5-2-6-18-19-15/h2,5-6,13-14,17H,3-4,7-12H2,1H3/t13-,14+/m0/s1
InChIKeyBFAXVJPOEWNTIH-UONOGXRCSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide
CID 95764501
N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95764484
2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95764485
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
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(2R)-2-(3-methylphenoxy)-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]propanamide
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2-[(2-methylcyclohexyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 55013356
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 106832007
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
(2R)-1-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methylamino]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one (CID 129370384) is (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one is C[C@H](NC[C@H]1CCCN1c1cccnn1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one?
The InChIKey is BFAXVJPOEWNTIH-UONOGXRCSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-13(16(22)20-8-10-23-11-9-20)17-12-14-4-3-7-21(14)15-5-2-6-18-19-15/h2,5-6,13-14,17H,3-4,7-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one?
(2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one has a molecular weight of 319.41 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-1-one is sourced from PubChem (CID 129370384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).