N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

C18H18FN3O — CID 170447799

IUPACN-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(Nc1cccc(-c2cncc(F)c2)c1)N1C2CCCC1C2
InChIInChI=1S/C18H18FN3O/c19-14-7-13(10-20-11-14)12-3-1-4-15(8-12)21-18(23)22-16-5-2-6-17(22)9-16/h1,3-4,7-8,10-11,16-17H,2,5-6,9H2,(H,21,23)
InChIKeyWVWFVGVXEJSIIT-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.05
Rot. Bonds2

About N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 170447799) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID170447799
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(Nc1cccc(-c2cncc(F)c2)c1)N1C2CCCC1C2
InChIInChI=1S/C18H18FN3O/c19-14-7-13(10-20-11-14)12-3-1-4-15(8-12)21-18(23)22-16-5-2-6-17(22)9-16/h1,3-4,7-8,10-11,16-17H,2,5-6,9H2,(H,21,23)
InChIKeyWVWFVGVXEJSIIT-UHFFFAOYSA-N
XLogP4.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide;methyl formate
CID 170617211
N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 170617322
N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide;molecular hydrogen
CID 170617381
N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176518
N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 170431677
N-[4-chloro-3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 170431408
(1S,5R)-3-(cyclopropanecarbonylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 11902412
(1R,2S,5R)-6-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-2-N,2-N-dimethyl-6-azabicyclo[3.1.1]heptane-2,6-dicarboxamide
CID 170617417
(1S)-6-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-2-N,2-N-dimethyl-6-azabicyclo[3.1.1]heptane-2,6-dicarboxamide
CID 170617237
(1R,5R)-3-(2,2-dimethylpropanoylamino)-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110472
(1S,5S)-3-benzamido-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110463
(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403583

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 170447799) is N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is O=C(Nc1cccc(-c2cncc(F)c2)c1)N1C2CCCC1C2.
What is the InChIKey of N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is WVWFVGVXEJSIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-14-7-13(10-20-11-14)12-3-1-4-15(8-12)21-18(23)22-16-5-2-6-17(22)9-16/h1,3-4,7-8,10-11,16-17H,2,5-6,9H2,(H,21,23).
What are the key properties of N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 170447799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).