(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone

C12H15N3O — CID 62159557

IUPAC(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
SMILESNc1ncccc1C(=O)N1CC2CCC1C2
InChIInChI=1S/C12H15N3O/c13-11-10(2-1-5-14-11)12(16)15-7-8-3-4-9(15)6-8/h1-2,5,8-9H,3-4,6-7H2,(H2,13,14)
InChIKeyGPMVBGVOPAYHGC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.29
Rot. Bonds1

About (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone

(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 62159557) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID62159557
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
SMILESNc1ncccc1C(=O)N1CC2CCC1C2
InChIInChI=1S/C12H15N3O/c13-11-10(2-1-5-14-11)12(16)15-7-8-3-4-9(15)6-8/h1-2,5,8-9H,3-4,6-7H2,(H2,13,14)
InChIKeyGPMVBGVOPAYHGC-UHFFFAOYSA-N
XLogP1.29
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone (CID 62159557) is (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone is Nc1ncccc1C(=O)N1CC2CCC1C2.
What is the InChIKey of (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is GPMVBGVOPAYHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-11-10(2-1-5-14-11)12(16)15-7-8-3-4-9(15)6-8/h1-2,5,8-9H,3-4,6-7H2,(H2,13,14).
What are the key properties of (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone?
(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 217.27 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 62159557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).