N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide

C17H19N3O2 — CID 118738955

IUPACN-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide
SMILESCc1cccc(CN2CC3C[C@]3(NC(=O)c3ccco3)C2)n1
InChIInChI=1S/C17H19N3O2/c1-12-4-2-5-14(18-12)10-20-9-13-8-17(13,11-20)19-16(21)15-6-3-7-22-15/h2-7,13H,8-11H2,1H3,(H,19,21)/t13?,17-/m0/s1
InChIKeyAEXZHBMYQQHGKD-RUINGEJQSA-N
MW297.36 g/mol
LogP1.99
Rot. Bonds4

About N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide

N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide (PubChem CID 118738955) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide
PubChem CID118738955
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide
SMILESCc1cccc(CN2CC3C[C@]3(NC(=O)c3ccco3)C2)n1
InChIInChI=1S/C17H19N3O2/c1-12-4-2-5-14(18-12)10-20-9-13-8-17(13,11-20)19-16(21)15-6-3-7-22-15/h2-7,13H,8-11H2,1H3,(H,19,21)/t13?,17-/m0/s1
InChIKeyAEXZHBMYQQHGKD-RUINGEJQSA-N
XLogP1.99
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide (CID 118738955) is N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide is Cc1cccc(CN2CC3C[C@]3(NC(=O)c3ccco3)C2)n1.
What is the InChIKey of N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide?
The InChIKey is AEXZHBMYQQHGKD-RUINGEJQSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-4-2-5-14(18-12)10-20-9-13-8-17(13,11-20)19-16(21)15-6-3-7-22-15/h2-7,13H,8-11H2,1H3,(H,19,21)/t13?,17-/m0/s1.
What are the key properties of N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide?
N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]furan-2-carboxamide is sourced from PubChem (CID 118738955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).