(1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C14H19N3O2 — CID 128661884

IUPAC(1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)c1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccn1
InChIInChI=1S/C14H19N3O2/c1-17(2)13-7-9(5-6-15-13)16-14(18)11-8-10-3-4-12(11)19-10/h5-7,10-12H,3-4,8H2,1-2H3,(H,15,16,18)/t10-,11-,12+/m1/s1
InChIKeyPBJHPLKBKWPXKN-UTUOFQBUSA-N
MW261.32 g/mol
LogP1.65
Rot. Bonds3

About (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 128661884) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID128661884
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)c1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccn1
InChIInChI=1S/C14H19N3O2/c1-17(2)13-7-9(5-6-15-13)16-14(18)11-8-10-3-4-12(11)19-10/h5-7,10-12H,3-4,8H2,1-2H3,(H,15,16,18)/t10-,11-,12+/m1/s1
InChIKeyPBJHPLKBKWPXKN-UTUOFQBUSA-N
XLogP1.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 128661884) is (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is CN(C)c1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccn1.
What is the InChIKey of (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PBJHPLKBKWPXKN-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(2)13-7-9(5-6-15-13)16-14(18)11-8-10-3-4-12(11)19-10/h5-7,10-12H,3-4,8H2,1-2H3,(H,15,16,18)/t10-,11-,12+/m1/s1.
What are the key properties of (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-N-[2-(dimethylamino)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 128661884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).