3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide

C25H29N3O2 — CID 141224276

IUPAC3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide
SMILESCOC1=Cc2ccccc2CC1(C(N)=O)C1C2CCN(CC2)C1Cc1cccnc1
InChIInChI=1S/C25H29N3O2/c1-30-22-14-19-6-2-3-7-20(19)15-25(22,24(26)29)23-18-8-11-28(12-9-18)21(23)13-17-5-4-10-27-16-17/h2-7,10,14,16,18,21,23H,8-9,11-13,15H2,1H3,(H2,26,29)
InChIKeyIEQDVTYYRLOFPB-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.05
Rot. Bonds5

About 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide

3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide (PubChem CID 141224276) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide
PubChem CID141224276
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide
SMILESCOC1=Cc2ccccc2CC1(C(N)=O)C1C2CCN(CC2)C1Cc1cccnc1
InChIInChI=1S/C25H29N3O2/c1-30-22-14-19-6-2-3-7-20(19)15-25(22,24(26)29)23-18-8-11-28(12-9-18)21(23)13-17-5-4-10-27-16-17/h2-7,10,14,16,18,21,23H,8-9,11-13,15H2,1H3,(H2,26,29)
InChIKeyIEQDVTYYRLOFPB-UHFFFAOYSA-N
XLogP3.05
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide (CID 141224276) is 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide is COC1=Cc2ccccc2CC1(C(N)=O)C1C2CCN(CC2)C1Cc1cccnc1.
What is the InChIKey of 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide?
The InChIKey is IEQDVTYYRLOFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-30-22-14-19-6-2-3-7-20(19)15-25(22,24(26)29)23-18-8-11-28(12-9-18)21(23)13-17-5-4-10-27-16-17/h2-7,10,14,16,18,21,23H,8-9,11-13,15H2,1H3,(H2,26,29).
What are the key properties of 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide?
3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 141224276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).