(3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide

C15H21N3O3 — CID 97380858

IUPAC(3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide
SMILESCN(C)C(=O)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21
InChIInChI=1S/C15H21N3O3/c1-17(2)15(19)18-10-12(14-11(18)6-5-9-20-14)21-13-7-3-4-8-16-13/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3/t11-,12+,14+/m1/s1
InChIKeyPJWCQSQPQBLCQW-DYEKYZERSA-N
MW291.35 g/mol
LogP1.37
Rot. Bonds2

About (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide

(3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide (PubChem CID 97380858) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide
PubChem CID97380858
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide
SMILESCN(C)C(=O)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21
InChIInChI=1S/C15H21N3O3/c1-17(2)15(19)18-10-12(14-11(18)6-5-9-20-14)21-13-7-3-4-8-16-13/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3/t11-,12+,14+/m1/s1
InChIKeyPJWCQSQPQBLCQW-DYEKYZERSA-N
XLogP1.37
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-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 (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide?
The IUPAC name of (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide (CID 97380858) is (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide.
What is the SMILES notation for (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide?
The canonical SMILES for (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide is CN(C)C(=O)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21.
What is the InChIKey of (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide?
The InChIKey is PJWCQSQPQBLCQW-DYEKYZERSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)15(19)18-10-12(14-11(18)6-5-9-20-14)21-13-7-3-4-8-16-13/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3/t11-,12+,14+/m1/s1.
What are the key properties of (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide?
(3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,7aR)-N,N-dimethyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxamide is sourced from PubChem (CID 97380858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).