[2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone

C20H20N6O — CID 90412928

IUPAC[2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccccn1)C2
InChIInChI=1S/C20H20N6O/c27-20(15-5-1-2-6-17(15)26-22-11-12-23-26)25-14-8-9-18(25)16(13-14)24-19-7-3-4-10-21-19/h1-7,10-12,14,16,18H,8-9,13H2,(H,21,24)
InChIKeyAYASHCNJGVARKM-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.52
Rot. Bonds4

About [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone

[2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 90412928) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID90412928
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name[2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccccn1)C2
InChIInChI=1S/C20H20N6O/c27-20(15-5-1-2-6-17(15)26-22-11-12-23-26)25-14-8-9-18(25)16(13-14)24-19-7-3-4-10-21-19/h1-7,10-12,14,16,18H,8-9,13H2,(H,21,24)
InChIKeyAYASHCNJGVARKM-UHFFFAOYSA-N
XLogP2.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 90412928) is [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Nc1ccccn1)C2.
What is the InChIKey of [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is AYASHCNJGVARKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(15-5-1-2-6-17(15)26-22-11-12-23-26)25-14-8-9-18(25)16(13-14)24-19-7-3-4-10-21-19/h1-7,10-12,14,16,18H,8-9,13H2,(H,21,24).
What are the key properties of [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone?
[2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 360.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-2-ylamino)-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 90412928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).