[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone

C24H24N4O2 — CID 126745511

IUPAC[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ccccn2)C3)nc1
InChIInChI=1S/C24H24N4O2/c1-15-6-9-22(26-13-15)30-21-12-17-11-20(21)28(14-17)24(29)23-18(8-7-16(2)27-23)19-5-3-4-10-25-19/h3-10,13,17,20-21H,11-12,14H2,1-2H3
InChIKeyIVMURGHWWWLVNH-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.84
Rot. Bonds4

About [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone

[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone (PubChem CID 126745511) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone
PubChem CID126745511
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ccccn2)C3)nc1
InChIInChI=1S/C24H24N4O2/c1-15-6-9-22(26-13-15)30-21-12-17-11-20(21)28(14-17)24(29)23-18(8-7-16(2)27-23)19-5-3-4-10-25-19/h3-10,13,17,20-21H,11-12,14H2,1-2H3
InChIKeyIVMURGHWWWLVNH-UHFFFAOYSA-N
XLogP3.84
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone (CID 126745511) is [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ccccn2)C3)nc1.
What is the InChIKey of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?
The InChIKey is IVMURGHWWWLVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-6-9-22(26-13-15)30-21-12-17-11-20(21)28(14-17)24(29)23-18(8-7-16(2)27-23)19-5-3-4-10-25-19/h3-10,13,17,20-21H,11-12,14H2,1-2H3.
What are the key properties of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?
[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone has a molecular weight of 400.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 126745511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).