(1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C9H14N4O — CID 154720397

IUPAC(1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C9H14N4O/c1-11-9(14)7-5-2-3-6(4-5)8(7)12-13-10/h5-8H,2-4H2,1H3,(H,11,14)/t5-,6+,7-,8-/m1/s1
InChIKeyMGZYMBFPOLOQEC-ULAWRXDQSA-N
MW194.24 g/mol
LogP1.46
Rot. Bonds2

About (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 154720397) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID154720397
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C9H14N4O/c1-11-9(14)7-5-2-3-6(4-5)8(7)12-13-10/h5-8H,2-4H2,1H3,(H,11,14)/t5-,6+,7-,8-/m1/s1
InChIKeyMGZYMBFPOLOQEC-ULAWRXDQSA-N
XLogP1.46
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-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

Related Compounds

3-Aminobicyclo[2.2.1]heptane-2-carboxamide hydrochloride
CID 53613691
(+/-)-(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 13724496
3-Aminobicyclo[2.2.1]heptane-2-carboxamide
CID 13724494
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163395342
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395343
3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167110752
3-[(2,2,2-Trifluoroacetyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 175889028
(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154720154
(2R,3S)-3-amino-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 166441112
(1R,4S)-3-amino-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 166441195
(2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 166441258
3-amino-N-(2,2,2-trifluoroethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 64377035

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 154720397) is (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1N=[N+]=[N-].
What is the InChIKey of (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MGZYMBFPOLOQEC-ULAWRXDQSA-N. The full InChI is InChI=1S/C9H14N4O/c1-11-9(14)7-5-2-3-6(4-5)8(7)12-13-10/h5-8H,2-4H2,1H3,(H,11,14)/t5-,6+,7-,8-/m1/s1.
What are the key properties of (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-3-azido-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 154720397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).