2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide

C24H30FN3O2 — CID 91468251

IUPAC2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide
SMILESCOCCN1C2CCCC1(C(NC(=O)c1c(C)cccc1F)c1ccncc1)CC2
InChIInChI=1S/C24H30FN3O2/c1-17-5-3-7-20(25)21(17)23(29)27-22(18-9-13-26-14-10-18)24-11-4-6-19(8-12-24)28(24)15-16-30-2/h3,5,7,9-10,13-14,19,22H,4,6,8,11-12,15-16H2,1-2H3,(H,27,29)
InChIKeyAOYDJOAUVXNLBO-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.03
Rot. Bonds7

About 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide

2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide (PubChem CID 91468251) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide
PubChem CID91468251
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide
SMILESCOCCN1C2CCCC1(C(NC(=O)c1c(C)cccc1F)c1ccncc1)CC2
InChIInChI=1S/C24H30FN3O2/c1-17-5-3-7-20(25)21(17)23(29)27-22(18-9-13-26-14-10-18)24-11-4-6-19(8-12-24)28(24)15-16-30-2/h3,5,7,9-10,13-14,19,22H,4,6,8,11-12,15-16H2,1-2H3,(H,27,29)
InChIKeyAOYDJOAUVXNLBO-UHFFFAOYSA-N
XLogP4.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide?
The IUPAC name of 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide (CID 91468251) is 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide is COCCN1C2CCCC1(C(NC(=O)c1c(C)cccc1F)c1ccncc1)CC2.
What is the InChIKey of 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide?
The InChIKey is AOYDJOAUVXNLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-17-5-3-7-20(25)21(17)23(29)27-22(18-9-13-26-14-10-18)24-11-4-6-19(8-12-24)28(24)15-16-30-2/h3,5,7,9-10,13-14,19,22H,4,6,8,11-12,15-16H2,1-2H3,(H,27,29).
What are the key properties of 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide?
2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide has a molecular weight of 411.52 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-1-yl]-pyridin-4-ylmethyl]-6-methylbenzamide is sourced from PubChem (CID 91468251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).