(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide

C15H24N4O4 — CID 95555880

IUPAC(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide
SMILESC[C@@H]1CN([C@H](C)C(=O)NCCn2[nH]c(=O)ccc2=O)C[C@H](C)O1
InChIInChI=1S/C15H24N4O4/c1-10-8-18(9-11(2)23-10)12(3)15(22)16-6-7-19-14(21)5-4-13(20)17-19/h4-5,10-12H,6-9H2,1-3H3,(H,16,22)(H,17,20)/t10-,11+,12-/m1/s1
InChIKeyYUUMTSKKHZPCNU-GRYCIOLGSA-N
MW324.38 g/mol
LogP-0.85
Rot. Bonds5

About (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide

(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide (PubChem CID 95555880) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide
PubChem CID95555880
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide
SMILESC[C@@H]1CN([C@H](C)C(=O)NCCn2[nH]c(=O)ccc2=O)C[C@H](C)O1
InChIInChI=1S/C15H24N4O4/c1-10-8-18(9-11(2)23-10)12(3)15(22)16-6-7-19-14(21)5-4-13(20)17-19/h4-5,10-12H,6-9H2,1-3H3,(H,16,22)(H,17,20)/t10-,11+,12-/m1/s1
InChIKeyYUUMTSKKHZPCNU-GRYCIOLGSA-N
XLogP-0.85
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 44549911
2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]propanamide
CID 56876224
N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide
CID 4565778
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-methyl-2-morpholin-4-ylbutyl)acetamide
CID 45819350
2-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 53525995
2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
CID 56721913
2-(2-morpholin-4-yl-2-oxoethyl)-1H-pyridazine-3,6-dione
CID 60635736
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63373929
2-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63600484
2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 71899325
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 71941541
2-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 81209253

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide (CID 95555880) is (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide is C[C@@H]1CN([C@H](C)C(=O)NCCn2[nH]c(=O)ccc2=O)C[C@H](C)O1.
What is the InChIKey of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide?
The InChIKey is YUUMTSKKHZPCNU-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-10-8-18(9-11(2)23-10)12(3)15(22)16-6-7-19-14(21)5-4-13(20)17-19/h4-5,10-12H,6-9H2,1-3H3,(H,16,22)(H,17,20)/t10-,11+,12-/m1/s1.
What are the key properties of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide?
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide has a molecular weight of 324.38 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide is sourced from PubChem (CID 95555880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).