N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide

C11H15FN4O2 — CID 77054826

IUPACN-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
SMILESNC(CCCCNC(=O)c1ccncc1F)=NO
InChIInChI=1S/C11H15FN4O2/c12-9-7-14-6-4-8(9)11(17)15-5-2-1-3-10(13)16-18/h4,6-7,18H,1-3,5H2,(H2,13,16)(H,15,17)
InChIKeyVDVXOMVMKDUEJB-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.87
Rot. Bonds6

About N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide

N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide (PubChem CID 77054826) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
PubChem CID77054826
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide
SMILESNC(CCCCNC(=O)c1ccncc1F)=NO
InChIInChI=1S/C11H15FN4O2/c12-9-7-14-6-4-8(9)11(17)15-5-2-1-3-10(13)16-18/h4,6-7,18H,1-3,5H2,(H2,13,16)(H,15,17)
InChIKeyVDVXOMVMKDUEJB-UHFFFAOYSA-N
XLogP0.87
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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': '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'}

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Related Compounds

N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
CID 81443542
N-(5-amino-5-hydroxyiminopentyl)-2,4-difluorobenzamide
CID 77036797
3-fluoro-N-(5-hydroxypentyl)pyridine-4-carboxamide
CID 107317148
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-[(3E)-3-amino-3-hydroxyiminopropyl]-3-hydroxypyridine-4-carboxamide
CID 81443627
3-fluoro-N-(3-methylsulfinylpropyl)pyridine-4-carboxamide
CID 115646493
N-(4-amino-4-hydroxyiminobutyl)pyridine-3-carboxamide
CID 76947453
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
CID 76952740
N-(5-amino-5-hydroxyiminopentyl)-2-bromo-4-fluorobenzamide
CID 77036778
N-(5-amino-5-hydroxyiminopentyl)-3,4,5-trifluorobenzamide
CID 77036928
N-(4-amino-4-hydroxyiminobutyl)-5-bromo-2-fluorobenzamide
CID 76947494
N-(3-amino-3-hydroxyiminopropyl)-2,3-difluorobenzamide
CID 76948110

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide (CID 77054826) is N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide is NC(CCCCNC(=O)c1ccncc1F)=NO.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is VDVXOMVMKDUEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c12-9-7-14-6-4-8(9)11(17)15-5-2-1-3-10(13)16-18/h4,6-7,18H,1-3,5H2,(H2,13,16)(H,15,17).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide?
N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 77054826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).