N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine

C11H17N3O — CID 83833847

IUPACN'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine
SMILESNCCCNc1ccc2c(n1)COCC2
InChIInChI=1S/C11H17N3O/c12-5-1-6-13-11-3-2-9-4-7-15-8-10(9)14-11/h2-3H,1,4-8,12H2,(H,13,14)
InChIKeyCTCJUKHJANOFMS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.92
Rot. Bonds4

About N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine

N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine (PubChem CID 83833847) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine
PubChem CID83833847
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine
SMILESNCCCNc1ccc2c(n1)COCC2
InChIInChI=1S/C11H17N3O/c12-5-1-6-13-11-3-2-9-4-7-15-8-10(9)14-11/h2-3H,1,4-8,12H2,(H,13,14)
InChIKeyCTCJUKHJANOFMS-UHFFFAOYSA-N
XLogP0.92
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine 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 N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine (CID 83833847) is N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine is NCCCNc1ccc2c(n1)COCC2.
What is the InChIKey of N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine?
The InChIKey is CTCJUKHJANOFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-5-1-6-13-11-3-2-9-4-7-15-8-10(9)14-11/h2-3H,1,4-8,12H2,(H,13,14).
What are the key properties of N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine?
N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine has a molecular weight of 207.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 83833847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).