2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide

C9H11N3O2 — CID 3676320

IUPAC2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESC=C(NO)C(=O)NCc1ccccn1
InChIInChI=1S/C9H11N3O2/c1-7(12-14)9(13)11-6-8-4-2-3-5-10-8/h2-5,12,14H,1,6H2,(H,11,13)
InChIKeyJQIWAZNIIYWRRF-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.19
Rot. Bonds4

About 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide

2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 3676320) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID3676320
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESC=C(NO)C(=O)NCc1ccccn1
InChIInChI=1S/C9H11N3O2/c1-7(12-14)9(13)11-6-8-4-2-3-5-10-8/h2-5,12,14H,1,6H2,(H,11,13)
InChIKeyJQIWAZNIIYWRRF-UHFFFAOYSA-N
XLogP0.19
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518344
N-(pyridin-2-ylmethyl)but-1-en-2-amine
CID 129060114
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 3676320) is 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide is C=C(NO)C(=O)NCc1ccccn1.
What is the InChIKey of 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is JQIWAZNIIYWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(12-14)9(13)11-6-8-4-2-3-5-10-8/h2-5,12,14H,1,6H2,(H,11,13).
What are the key properties of 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide?
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 193.21 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 3676320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).