N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide

C14H19FN4O2 — CID 104786341

IUPACN-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide
SMILESN/C(=N/O)C(NC(=O)c1cncc(F)c1)C1CCCCC1
InChIInChI=1S/C14H19FN4O2/c15-11-6-10(7-17-8-11)14(20)18-12(13(16)19-21)9-4-2-1-3-5-9/h6-9,12,21H,1-5H2,(H2,16,19)(H,18,20)
InChIKeyORMZTHGXAKRWRM-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.65
Rot. Bonds4

About N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide

N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide (PubChem CID 104786341) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide
PubChem CID104786341
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC NameN-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide
SMILESN/C(=N/O)C(NC(=O)c1cncc(F)c1)C1CCCCC1
InChIInChI=1S/C14H19FN4O2/c15-11-6-10(7-17-8-11)14(20)18-12(13(16)19-21)9-4-2-1-3-5-9/h6-9,12,21H,1-5H2,(H2,16,19)(H,18,20)
InChIKeyORMZTHGXAKRWRM-UHFFFAOYSA-N
XLogP1.65
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.65
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-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-5-iodothiophene-3-carboxamide
CID 79684073
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,4-difluorobenzamide
CID 77038955
2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
CID 61014771
N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
CID 61123796
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-bromo-5-fluorobenzamide
CID 77039184
N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802127
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide
CID 77060495
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-bromobenzamide
CID 77039302
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
CID 104786596
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide (CID 104786341) is N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide is N/C(=N/O)C(NC(=O)c1cncc(F)c1)C1CCCCC1.
What is the InChIKey of N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is ORMZTHGXAKRWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c15-11-6-10(7-17-8-11)14(20)18-12(13(16)19-21)9-4-2-1-3-5-9/h6-9,12,21H,1-5H2,(H2,16,19)(H,18,20).
What are the key properties of N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide?
N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).