[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C22H23N5O2 — CID 90452206

IUPAC[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(NC2CC3CC2N(C(=O)c2ccccc2-c2nc(C)no2)C3)nc1
InChIInChI=1S/C22H23N5O2/c1-13-7-8-20(23-11-13)25-18-9-15-10-19(18)27(12-15)22(28)17-6-4-3-5-16(17)21-24-14(2)26-29-21/h3-8,11,15,18-19H,9-10,12H2,1-2H3,(H,23,25)
InChIKeyGLVYTDBSWMNMOZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.46
Rot. Bonds4

About [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 90452206) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID90452206
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCc1ccc(NC2CC3CC2N(C(=O)c2ccccc2-c2nc(C)no2)C3)nc1
InChIInChI=1S/C22H23N5O2/c1-13-7-8-20(23-11-13)25-18-9-15-10-19(18)27(12-15)22(28)17-6-4-3-5-16(17)21-24-14(2)26-29-21/h3-8,11,15,18-19H,9-10,12H2,1-2H3,(H,23,25)
InChIKeyGLVYTDBSWMNMOZ-UHFFFAOYSA-N
XLogP3.46
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 90452206) is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is Cc1ccc(NC2CC3CC2N(C(=O)c2ccccc2-c2nc(C)no2)C3)nc1.
What is the InChIKey of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is GLVYTDBSWMNMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-7-8-20(23-11-13)25-18-9-15-10-19(18)27(12-15)22(28)17-6-4-3-5-16(17)21-24-14(2)26-29-21/h3-8,11,15,18-19H,9-10,12H2,1-2H3,(H,23,25).
What are the key properties of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 389.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 90452206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).