N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide

C12H15FN4O2 — CID 104639467

IUPACN-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
SMILESN/C(CCN(C(=O)c1ccc(F)cn1)C1CC1)=N/O
InChIInChI=1S/C12H15FN4O2/c13-8-1-4-10(15-7-8)12(18)17(9-2-3-9)6-5-11(14)16-19/h1,4,7,9,19H,2-3,5-6H2,(H2,14,16)
InChIKeyOPFYHXPBEATLDH-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.96
Rot. Bonds5

About N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide

N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide (PubChem CID 104639467) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
PubChem CID104639467
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC NameN-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
SMILESN/C(CCN(C(=O)c1ccc(F)cn1)C1CC1)=N/O
InChIInChI=1S/C12H15FN4O2/c13-8-1-4-10(15-7-8)12(18)17(9-2-3-9)6-5-11(14)16-19/h1,4,7,9,19H,2-3,5-6H2,(H2,14,16)
InChIKeyOPFYHXPBEATLDH-UHFFFAOYSA-N
XLogP0.96
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide (CID 104639467) is N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide is N/C(CCN(C(=O)c1ccc(F)cn1)C1CC1)=N/O.
What is the InChIKey of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide?
The InChIKey is OPFYHXPBEATLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c13-8-1-4-10(15-7-8)12(18)17(9-2-3-9)6-5-11(14)16-19/h1,4,7,9,19H,2-3,5-6H2,(H2,14,16).
What are the key properties of N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide?
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide has a molecular weight of 266.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104639467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).