N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide

C11H15FN4O2 — CID 77054803

IUPACN-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide
SMILESCCC(CC(N)=NO)NC(=O)c1ccncc1F
InChIInChI=1S/C11H15FN4O2/c1-2-7(5-10(13)16-18)15-11(17)8-3-4-14-6-9(8)12/h3-4,6-7,18H,2,5H2,1H3,(H2,13,16)(H,15,17)
InChIKeyLPXHNHPQYNZKJH-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.87
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide

N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 77054803) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide
PubChem CID77054803
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC NameN-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide
SMILESCCC(CC(N)=NO)NC(=O)c1ccncc1F
InChIInChI=1S/C11H15FN4O2/c1-2-7(5-10(13)16-18)15-11(17)8-3-4-14-6-9(8)12/h3-4,6-7,18H,2,5H2,1H3,(H2,13,16)(H,15,17)
InChIKeyLPXHNHPQYNZKJH-UHFFFAOYSA-N
XLogP0.87
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(1-amino-1-hydroxyiminopentan-3-yl)-3,4-difluorobenzamide
CID 76947874
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide
CID 107992470
(2S)-4-amino-2-[(3-fluoropyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 64950275
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
CID 77054826
N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide
CID 77072497
N-(1-amino-1-hydroxyiminopentan-3-yl)-4-methylbenzamide
CID 76947753
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671999
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-4-bromo-2-methylbenzamide
CID 55101444
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoro-4-methoxybenzamide
CID 76977862
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3,4-dihydroxybenzamide
CID 107728912

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide (CID 77054803) is N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide is CCC(CC(N)=NO)NC(=O)c1ccncc1F.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is LPXHNHPQYNZKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-2-7(5-10(13)16-18)15-11(17)8-3-4-14-6-9(8)12/h3-4,6-7,18H,2,5H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide?
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 77054803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).