N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide

C12H13ClFN3O — CID 22243232

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(Cl)cc1F
InChIInChI=1S/C12H13ClFN3O/c13-6-3-8(14)11(15-5-6)12(18)17-10-4-7-1-2-9(10)16-7/h3,5,7,9-10,16H,1-2,4H2,(H,17,18)
InChIKeyFCGULCDXHKZQCU-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.50
Rot. Bonds2

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide (PubChem CID 22243232) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide
PubChem CID22243232
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(Cl)cc1F
InChIInChI=1S/C12H13ClFN3O/c13-6-3-8(14)11(15-5-6)12(18)17-10-4-7-1-2-9(10)16-7/h3,5,7,9-10,16H,1-2,4H2,(H,17,18)
InChIKeyFCGULCDXHKZQCU-UHFFFAOYSA-N
XLogP1.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-fluoropyridine-2-carboxamide
CID 23598718
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-hydroxypyridine-2-carboxamide
CID 23598720
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3,5-difluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535009
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-chlorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
CID 70027763
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-dichlorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
CID 18535024
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-hydroxypyrimidine-2-carboxamide
CID 23598721
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 18535011
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535363
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-fluoro-3-pyridinyl)-1,3-oxazole-2-carboxamide
CID 18535138
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-chloro-3-pyridinyl)furan-2-carboxamide
CID 18535263
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-chlorophenoxy)-1,3-oxazole-2-carboxamide
CID 18535229
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
CID 18535414

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide (CID 22243232) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide is O=C(NC1CC2CCC1N2)c1ncc(Cl)cc1F.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide?
The InChIKey is FCGULCDXHKZQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c13-6-3-8(14)11(15-5-6)12(18)17-10-4-7-1-2-9(10)16-7/h3,5,7,9-10,16H,1-2,4H2,(H,17,18).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide has a molecular weight of 269.71 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 22243232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).