N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide

C15H19FN4O — CID 170057183

IUPACN-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCNC3CCC32)c(F)n1
InChIInChI=1S/C15H19FN4O/c16-14-13(20-8-7-17-10-3-5-12(10)20)6-4-11(19-14)15(21)18-9-1-2-9/h4,6,9-10,12,17H,1-3,5,7-8H2,(H,18,21)
InChIKeyFVRSXQWJJUIHSE-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.05
Rot. Bonds3

About N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide

N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide (PubChem CID 170057183) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide
PubChem CID170057183
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCNC3CCC32)c(F)n1
InChIInChI=1S/C15H19FN4O/c16-14-13(20-8-7-17-10-3-5-12(10)20)6-4-11(19-14)15(21)18-9-1-2-9/h4,6,9-10,12,17H,1-3,5,7-8H2,(H,18,21)
InChIKeyFVRSXQWJJUIHSE-UHFFFAOYSA-N
XLogP1.05
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide (CID 170057183) is N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide is O=C(NC1CC1)c1ccc(N2CCNC3CCC32)c(F)n1.
What is the InChIKey of N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide?
The InChIKey is FVRSXQWJJUIHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-14-13(20-8-7-17-10-3-5-12(10)20)6-4-11(19-14)15(21)18-9-1-2-9/h4,6,9-10,12,17H,1-3,5,7-8H2,(H,18,21).
What are the key properties of N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide?
N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(2,5-diazabicyclo[4.2.0]octan-2-yl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 170057183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).