(1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide

C18H19N3O — CID 166294995

IUPAC(1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCc1cccnc1)N1C[C@@H]2C[C@@H]2[C@@H]1c1ccccc1
InChIInChI=1S/C18H19N3O/c22-18(20-11-13-5-4-8-19-10-13)21-12-15-9-16(15)17(21)14-6-2-1-3-7-14/h1-8,10,15-17H,9,11-12H2,(H,20,22)/t15-,16-,17-/m0/s1
InChIKeyVXWAURONPLJKIA-ULQDDVLXSA-N
MW293.37 g/mol
LogP2.98
Rot. Bonds3

About (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide

(1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 166294995) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID166294995
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCc1cccnc1)N1C[C@@H]2C[C@@H]2[C@@H]1c1ccccc1
InChIInChI=1S/C18H19N3O/c22-18(20-11-13-5-4-8-19-10-13)21-12-15-9-16(15)17(21)14-6-2-1-3-7-14/h1-8,10,15-17H,9,11-12H2,(H,20,22)/t15-,16-,17-/m0/s1
InChIKeyVXWAURONPLJKIA-ULQDDVLXSA-N
XLogP2.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

5-methoxy-N-(pyridin-3-ylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155840705
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006
(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61200404
4-phenyl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47014421
4-benzylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 27516632
4-(pyridin-3-ylmethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82903979
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 128986753
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
1-benzoyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42680157
(3S,5R)-1-(2-phenylacetyl)-5-(pyridin-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 56906230

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 166294995) is (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(NCc1cccnc1)N1C[C@@H]2C[C@@H]2[C@@H]1c1ccccc1.
What is the InChIKey of (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is VXWAURONPLJKIA-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(20-11-13-5-4-8-19-10-13)21-12-15-9-16(15)17(21)14-6-2-1-3-7-14/h1-8,10,15-17H,9,11-12H2,(H,20,22)/t15-,16-,17-/m0/s1.
What are the key properties of (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
(1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-2-phenyl-N-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 166294995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).