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

C12H19N3O — CID 83838426

IUPACN'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc2c(n1)COCC2
InChIInChI=1S/C12H19N3O/c1-15(7-2-6-13)12-4-3-10-5-8-16-9-11(10)14-12/h3-4H,2,5-9,13H2,1H3
InChIKeyWRLFBYVUOHWHDU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.94
Rot. Bonds4

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

N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 83838426) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID83838426
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc2c(n1)COCC2
InChIInChI=1S/C12H19N3O/c1-15(7-2-6-13)12-4-3-10-5-8-16-9-11(10)14-12/h3-4H,2,5-9,13H2,1H3
InChIKeyWRLFBYVUOHWHDU-UHFFFAOYSA-N
XLogP0.94
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-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)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine (CID 83838426) is N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1ccc2c(n1)COCC2.
What is the InChIKey of N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is WRLFBYVUOHWHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15(7-2-6-13)12-4-3-10-5-8-16-9-11(10)14-12/h3-4H,2,5-9,13H2,1H3.
What are the key properties of N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine?
N'-(6,8-dihydro-5H-pyrano[3,4-b]pyridin-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 221.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 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)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 83838426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).