2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide

C13H20N4O3 — CID 22949211

IUPAC2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
SMILESC=C(C)NOCCNC(=O)Cn1c(C)ccc(N)c1=O
InChIInChI=1S/C13H20N4O3/c1-9(2)16-20-7-6-15-12(18)8-17-10(3)4-5-11(14)13(17)19/h4-5,16H,1,6-8,14H2,2-3H3,(H,15,18)
InChIKeyXCBLUUHXQGJACZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.09
Rot. Bonds7

About 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide

2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide (PubChem CID 22949211) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
PubChem CID22949211
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
SMILESC=C(C)NOCCNC(=O)Cn1c(C)ccc(N)c1=O
InChIInChI=1S/C13H20N4O3/c1-9(2)16-20-7-6-15-12(18)8-17-10(3)4-5-11(14)13(17)19/h4-5,16H,1,6-8,14H2,2-3H3,(H,15,18)
InChIKeyXCBLUUHXQGJACZ-UHFFFAOYSA-N
XLogP-0.09
TPSA98.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide?
The IUPAC name of 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide (CID 22949211) is 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide.
What is the SMILES notation for 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide?
The canonical SMILES for 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide is C=C(C)NOCCNC(=O)Cn1c(C)ccc(N)c1=O.
What is the InChIKey of 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide?
The InChIKey is XCBLUUHXQGJACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(2)16-20-7-6-15-12(18)8-17-10(3)4-5-11(14)13(17)19/h4-5,16H,1,6-8,14H2,2-3H3,(H,15,18).
What are the key properties of 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide?
2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-methyl-2-oxo-1-pyridinyl)-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide is sourced from PubChem (CID 22949211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).