N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide

C16H21N3O — CID 128825805

IUPACN-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
SMILESNC1(CNC(=O)N2C3CCC2c2ccccc23)CCC1
InChIInChI=1S/C16H21N3O/c17-16(8-3-9-16)10-18-15(20)19-13-6-7-14(19)12-5-2-1-4-11(12)13/h1-2,4-5,13-14H,3,6-10,17H2,(H,18,20)
InChIKeyBHECKJYAZHFDAR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.47
Rot. Bonds2

About N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide

N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide (PubChem CID 128825805) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
PubChem CID128825805
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide
SMILESNC1(CNC(=O)N2C3CCC2c2ccccc23)CCC1
InChIInChI=1S/C16H21N3O/c17-16(8-3-9-16)10-18-15(20)19-13-6-7-14(19)12-5-2-1-4-11(12)13/h1-2,4-5,13-14H,3,6-10,17H2,(H,18,20)
InChIKeyBHECKJYAZHFDAR-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide (CID 128825805) is N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide is NC1(CNC(=O)N2C3CCC2c2ccccc23)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide?
The InChIKey is BHECKJYAZHFDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-16(8-3-9-16)10-18-15(20)19-13-6-7-14(19)12-5-2-1-4-11(12)13/h1-2,4-5,13-14H,3,6-10,17H2,(H,18,20).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide?
N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxamide is sourced from PubChem (CID 128825805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).