(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide

C9H12N4O3 — CID 43156078

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C/C(N)=N/O)cn1
InChIInChI=1S/C9H12N4O3/c1-16-9-3-2-6(5-11-9)12-8(14)4-7(10)13-15/h2-3,5,15H,4H2,1H3,(H2,10,13)(H,12,14)
InChIKeyRKIVKXFKILAXCN-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.17
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 43156078) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID43156078
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C/C(N)=N/O)cn1
InChIInChI=1S/C9H12N4O3/c1-16-9-3-2-6(5-11-9)12-8(14)4-7(10)13-15/h2-3,5,15H,4H2,1H3,(H2,10,13)(H,12,14)
InChIKeyRKIVKXFKILAXCN-UHFFFAOYSA-N
XLogP0.17
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021
2-(2-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 16795634
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
3-(2-aminoethoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 112738961
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
2-(3-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62499152
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
2-(3,5-dimethylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478526

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide (CID 43156078) is (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)C/C(N)=N/O)cn1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is RKIVKXFKILAXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-16-9-3-2-6(5-11-9)12-8(14)4-7(10)13-15/h2-3,5,15H,4H2,1H3,(H2,10,13)(H,12,14).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 224.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 43156078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).