N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide

C12H13FN2O — CID 107595584

IUPACN-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccncc1F)C1CC2CC2C1
InChIInChI=1S/C12H13FN2O/c13-10-6-14-2-1-11(10)15-12(16)9-4-7-3-8(7)5-9/h1-2,6-9H,3-5H2,(H,14,15,16)
InChIKeyIRSGYCRXEKOPII-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 107595584) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID107595584
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC NameN-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccncc1F)C1CC2CC2C1
InChIInChI=1S/C12H13FN2O/c13-10-6-14-2-1-11(10)15-12(16)9-4-7-3-8(7)5-9/h1-2,6-9H,3-5H2,(H,14,15,16)
InChIKeyIRSGYCRXEKOPII-UHFFFAOYSA-N
XLogP2.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide
CID 154866117
N-(3-fluoro-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 107595057
N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 103886195
N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 103098002
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
ethyl 2-[(3-fluoro-4-pyridinyl)amino]-2-oxoacetate
CID 107595257
(3S)-N-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107594914
N-(3-amino-4-pyridinyl)cyclooctanecarboxamide
CID 65019463
1-cyclohex-2-en-1-yl-3-(3-fluoro-4-pyridinyl)urea
CID 75506417
N-(2,3,5,6-tetrafluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107646142
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146124051

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 107595584) is N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1ccncc1F)C1CC2CC2C1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is IRSGYCRXEKOPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-10-6-14-2-1-11(10)15-12(16)9-4-7-3-8(7)5-9/h1-2,6-9H,3-5H2,(H,14,15,16).
What are the key properties of N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 220.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 107595584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).