N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide

C18H19N3O2 — CID 167986912

IUPACN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1C2CN(Cc3ccccc3)CC21)c1cccc(=O)[nH]1
InChIInChI=1S/C18H19N3O2/c22-16-8-4-7-15(19-16)18(23)20-17-13-10-21(11-14(13)17)9-12-5-2-1-3-6-12/h1-8,13-14,17H,9-11H2,(H,19,22)(H,20,23)
InChIKeyBSMCEWUNKQOIAE-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.24
Rot. Bonds4

About N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide

N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 167986912) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID167986912
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1C2CN(Cc3ccccc3)CC21)c1cccc(=O)[nH]1
InChIInChI=1S/C18H19N3O2/c22-16-8-4-7-15(19-16)18(23)20-17-13-10-21(11-14(13)17)9-12-5-2-1-3-6-12/h1-8,13-14,17H,9-11H2,(H,19,22)(H,20,23)
InChIKeyBSMCEWUNKQOIAE-UHFFFAOYSA-N
XLogP1.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 136586428
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 164640186
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 154764205
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 154780076
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide
CID 167755656
(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
CID 90406485
3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane
CID 131227646
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 136586447
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
CID 68902944
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl) propanoate
CID 140794849
3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 130855630

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide (CID 167986912) is N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide is O=C(NC1C2CN(Cc3ccccc3)CC21)c1cccc(=O)[nH]1.
What is the InChIKey of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is BSMCEWUNKQOIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-16-8-4-7-15(19-16)18(23)20-17-13-10-21(11-14(13)17)9-12-5-2-1-3-6-12/h1-8,13-14,17H,9-11H2,(H,19,22)(H,20,23).
What are the key properties of N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide?
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 167986912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).