5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide

C12H15FN4O — CID 170048475

IUPAC5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN[C@@H]3CC32)c(F)n1
InChIInChI=1S/C12H15FN4O/c1-14-12(18)7-2-3-9(11(13)16-7)17-5-4-15-8-6-10(8)17/h2-3,8,10,15H,4-6H2,1H3,(H,14,18)/t8-,10?/m1/s1
InChIKeyRCVWOUJIRIRQBV-HNHGDDPOSA-N
MW250.28 g/mol
LogP0.13
Rot. Bonds2

About 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide

5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 170048475) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID170048475
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN[C@@H]3CC32)c(F)n1
InChIInChI=1S/C12H15FN4O/c1-14-12(18)7-2-3-9(11(13)16-7)17-5-4-15-8-6-10(8)17/h2-3,8,10,15H,4-6H2,1H3,(H,14,18)/t8-,10?/m1/s1
InChIKeyRCVWOUJIRIRQBV-HNHGDDPOSA-N
XLogP0.13
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.13
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 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide (CID 170048475) is 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN[C@@H]3CC32)c(F)n1.
What is the InChIKey of 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is RCVWOUJIRIRQBV-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-14-12(18)7-2-3-9(11(13)16-7)17-5-4-15-8-6-10(8)17/h2-3,8,10,15H,4-6H2,1H3,(H,14,18)/t8-,10?/m1/s1.
What are the key properties of 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6R)-2,5-diazabicyclo[4.1.0]heptan-2-yl]-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170048475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).