N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide

C10H14N4O3 — CID 114039851

IUPACN-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESN/C(CCCNC(=O)c1cc[nH]c(=O)c1)=N/O
InChIInChI=1S/C10H14N4O3/c11-8(14-17)2-1-4-13-10(16)7-3-5-12-9(15)6-7/h3,5-6,17H,1-2,4H2,(H2,11,14)(H,12,15)(H,13,16)
InChIKeyZYSZZLZGCQBUOF-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.37
Rot. Bonds5

About N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 114039851) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID114039851
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESN/C(CCCNC(=O)c1cc[nH]c(=O)c1)=N/O
InChIInChI=1S/C10H14N4O3/c11-8(14-17)2-1-4-13-10(16)7-3-5-12-9(15)6-7/h3,5-6,17H,1-2,4H2,(H2,11,14)(H,12,15)(H,13,16)
InChIKeyZYSZZLZGCQBUOF-UHFFFAOYSA-N
XLogP-0.37
TPSA120.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-oxopropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765710
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
CID 103766068
N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide
CID 77036760
N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765617
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813
N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
CID 79733246
N-(4-amino-4-hydroxyiminobutyl)-3-propan-2-yloxybenzamide
CID 76977754
N-(4-amino-4-hydroxyiminobutyl)pyridine-3-carboxamide
CID 76947453
N-(5-amino-5-hydroxyiminopentyl)-3,4,5-trifluorobenzamide
CID 77036928
N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide
CID 77027007

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide (CID 114039851) is N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide is N/C(CCCNC(=O)c1cc[nH]c(=O)c1)=N/O.
What is the InChIKey of N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is ZYSZZLZGCQBUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-8(14-17)2-1-4-13-10(16)7-3-5-12-9(15)6-7/h3,5-6,17H,1-2,4H2,(H2,11,14)(H,12,15)(H,13,16).
What are the key properties of N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 114039851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).