(1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide

C15H21N3O — CID 138011190

IUPAC(1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@H]32)cn1
InChIInChI=1S/C15H21N3O/c1-8(2)14-4-3-9(7-17-14)18-15(19)12-6-13(16)11-5-10(11)12/h3-4,7-8,10-13H,5-6,16H2,1-2H3,(H,18,19)/t10-,11+,12-,13+/m1/s1
InChIKeyPXHUZDGUKLPIKU-XQHKEYJVSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds3

About (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide

(1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 138011190) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide
PubChem CID138011190
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@H]32)cn1
InChIInChI=1S/C15H21N3O/c1-8(2)14-4-3-9(7-17-14)18-15(19)12-6-13(16)11-5-10(11)12/h3-4,7-8,10-13H,5-6,16H2,1-2H3,(H,18,19)/t10-,11+,12-,13+/m1/s1
InChIKeyPXHUZDGUKLPIKU-XQHKEYJVSA-N
XLogP2.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide (CID 138011190) is (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide is CC(C)c1ccc(NC(=O)[C@@H]2C[C@H](N)[C@H]3C[C@H]32)cn1.
What is the InChIKey of (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is PXHUZDGUKLPIKU-XQHKEYJVSA-N. The full InChI is InChI=1S/C15H21N3O/c1-8(2)14-4-3-9(7-17-14)18-15(19)12-6-13(16)11-5-10(11)12/h3-4,7-8,10-13H,5-6,16H2,1-2H3,(H,18,19)/t10-,11+,12-,13+/m1/s1.
What are the key properties of (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide?
(1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-4-amino-N-(6-propan-2-yl-3-pyridinyl)bicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 138011190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).