N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

C21H22FN3O — CID 169176518

IUPACN-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(Nc1ccc(C2CC2)c(-c2ccc(F)cn2)c1)N1C2CCCC1C2
InChIInChI=1S/C21H22FN3O/c22-14-6-9-20(23-12-14)19-10-15(7-8-18(19)13-4-5-13)24-21(26)25-16-2-1-3-17(25)11-16/h6-10,12-13,16-17H,1-5,11H2,(H,24,26)
InChIKeyHWZXANSNTDATKX-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.92
Rot. Bonds3

About N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 169176518) has the molecular formula C21H22FN3O and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID169176518
Molecular FormulaC21H22FN3O
Molecular Weight351.42 g/mol
Exact Mass351.17
IUPAC NameN-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESO=C(Nc1ccc(C2CC2)c(-c2ccc(F)cn2)c1)N1C2CCCC1C2
InChIInChI=1S/C21H22FN3O/c22-14-6-9-20(23-12-14)19-10-15(7-8-18(19)13-4-5-13)24-21(26)25-16-2-1-3-17(25)11-16/h6-10,12-13,16-17H,1-5,11H2,(H,24,26)
InChIKeyHWZXANSNTDATKX-UHFFFAOYSA-N
XLogP4.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide with MolForge

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Related Compounds

N-[4-cyclopropyl-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176940614
N-[3-(3-fluoropyrazolo[1,5-a]pyrazin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 171511845
N-[3-(5-fluoro-3-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 170447799
(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-(4-methyl-3-pyrimidin-2-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176631
N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide;molecular hydrogen
CID 170617381
N-[3-(6-cyano-2-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176130
N-(3,4-dimethyl-5-pyridin-2-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169175904
3-acetamido-N-(4-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218280
(1R,5S)-N-[4-(aminomethyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176941166
N-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 63764022

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 169176518) is N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is O=C(Nc1ccc(C2CC2)c(-c2ccc(F)cn2)c1)N1C2CCCC1C2.
What is the InChIKey of N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is HWZXANSNTDATKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-14-6-9-20(23-12-14)19-10-15(7-8-18(19)13-4-5-13)24-21(26)25-16-2-1-3-17(25)11-16/h6-10,12-13,16-17H,1-5,11H2,(H,24,26).
What are the key properties of N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-3-(5-fluoro-2-pyridinyl)phenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 169176518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).