N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide

C13H19N3O6 — CID 142725889

IUPACN-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide
SMILESCONC(=O)C(C)Oc1ccnc(OC(C)C(=O)NOC)c1
InChIInChI=1S/C13H19N3O6/c1-8(12(17)15-19-3)21-10-5-6-14-11(7-10)22-9(2)13(18)16-20-4/h5-9H,1-4H3,(H,15,17)(H,16,18)
InChIKeyQBYWYHLOBDQYCD-UHFFFAOYSA-N
MW313.31 g/mol
LogP-0.03
Rot. Bonds8

About N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide

N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide (PubChem CID 142725889) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide
PubChem CID142725889
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC NameN-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide
SMILESCONC(=O)C(C)Oc1ccnc(OC(C)C(=O)NOC)c1
InChIInChI=1S/C13H19N3O6/c1-8(12(17)15-19-3)21-10-5-6-14-11(7-10)22-9(2)13(18)16-20-4/h5-9H,1-4H3,(H,15,17)(H,16,18)
InChIKeyQBYWYHLOBDQYCD-UHFFFAOYSA-N
XLogP-0.03
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide?
The IUPAC name of N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide (CID 142725889) is N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide?
The canonical SMILES for N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide is CONC(=O)C(C)Oc1ccnc(OC(C)C(=O)NOC)c1.
What is the InChIKey of N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide?
The InChIKey is QBYWYHLOBDQYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6/c1-8(12(17)15-19-3)21-10-5-6-14-11(7-10)22-9(2)13(18)16-20-4/h5-9H,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide?
N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide has a molecular weight of 313.31 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[[2-[1-(methoxyamino)-1-oxopropan-2-yl]oxy-4-pyridinyl]oxy]propanamide is sourced from PubChem (CID 142725889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).