(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide

C10H12N4O2 — CID 139074285

IUPAC(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide
SMILESC/C(=N\O)C(=O)N/N=C(\C)c1ccccn1
InChIInChI=1S/C10H12N4O2/c1-7(9-5-3-4-6-11-9)12-13-10(15)8(2)14-16/h3-6,16H,1-2H3,(H,13,15)/b12-7+,14-8+
InChIKeyDKENKWSQMNXDRF-BKKXBQFWSA-N
MW220.23 g/mol
LogP0.77
Rot. Bonds3

About (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide

(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide (PubChem CID 139074285) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide
PubChem CID139074285
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide
SMILESC/C(=N\O)C(=O)N/N=C(\C)c1ccccn1
InChIInChI=1S/C10H12N4O2/c1-7(9-5-3-4-6-11-9)12-13-10(15)8(2)14-16/h3-6,16H,1-2H3,(H,13,15)/b12-7+,14-8+
InChIKeyDKENKWSQMNXDRF-BKKXBQFWSA-N
XLogP0.77
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 135460521
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
2-amino-N'-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]ethanimidamide
CID 123895161
2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
CID 165352086
2-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 1352694
2-(3,5-dimethylphenoxy)-N-(1-pyridin-2-ylethylideneamino)acetamide
CID 4542749
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 40510549

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide?
The IUPAC name of (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide (CID 139074285) is (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide is C/C(=N\O)C(=O)N/N=C(\C)c1ccccn1.
What is the InChIKey of (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide?
The InChIKey is DKENKWSQMNXDRF-BKKXBQFWSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7(9-5-3-4-6-11-9)12-13-10(15)8(2)14-16/h3-6,16H,1-2H3,(H,13,15)/b12-7+,14-8+.
What are the key properties of (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide?
(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide has a molecular weight of 220.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide is sourced from PubChem (CID 139074285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).