2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide

C20H25N5O — CID 18414488

IUPAC2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide
SMILESNC(=O)CNC1C2CN(CCc3ccc(-c4cccc(N)n4)cc3)CC21
InChIInChI=1S/C20H25N5O/c21-18-3-1-2-17(24-18)14-6-4-13(5-7-14)8-9-25-11-15-16(12-25)20(15)23-10-19(22)26/h1-7,15-16,20,23H,8-12H2,(H2,21,24)(H2,22,26)
InChIKeyRSNZZBNAJHZPBR-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.88
Rot. Bonds7

About 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide

2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide (PubChem CID 18414488) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide
PubChem CID18414488
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide
SMILESNC(=O)CNC1C2CN(CCc3ccc(-c4cccc(N)n4)cc3)CC21
InChIInChI=1S/C20H25N5O/c21-18-3-1-2-17(24-18)14-6-4-13(5-7-14)8-9-25-11-15-16(12-25)20(15)23-10-19(22)26/h1-7,15-16,20,23H,8-12H2,(H2,21,24)(H2,22,26)
InChIKeyRSNZZBNAJHZPBR-UHFFFAOYSA-N
XLogP0.88
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide?
The IUPAC name of 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide (CID 18414488) is 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide.
What is the SMILES notation for 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide?
The canonical SMILES for 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide is NC(=O)CNC1C2CN(CCc3ccc(-c4cccc(N)n4)cc3)CC21.
What is the InChIKey of 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide?
The InChIKey is RSNZZBNAJHZPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-18-3-1-2-17(24-18)14-6-4-13(5-7-14)8-9-25-11-15-16(12-25)20(15)23-10-19(22)26/h1-7,15-16,20,23H,8-12H2,(H2,21,24)(H2,22,26).
What are the key properties of 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide?
2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide has a molecular weight of 351.45 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[4-(6-amino-2-pyridinyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]amino]acetamide is sourced from PubChem (CID 18414488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).