N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine

C16H18N4O — CID 106535281

IUPACN'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESc1cncc(CNCCCNc2nccc3occc23)c1
InChIInChI=1S/C16H18N4O/c1-3-13(11-17-6-1)12-18-7-2-8-19-16-14-5-10-21-15(14)4-9-20-16/h1,3-6,9-11,18H,2,7-8,12H2,(H,19,20)
InChIKeyITAKADWGCFPSAT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.81
Rot. Bonds7

About N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine

N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 106535281) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID106535281
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESc1cncc(CNCCCNc2nccc3occc23)c1
InChIInChI=1S/C16H18N4O/c1-3-13(11-17-6-1)12-18-7-2-8-19-16-14-5-10-21-15(14)4-9-20-16/h1,3-6,9-11,18H,2,7-8,12H2,(H,19,20)
InChIKeyITAKADWGCFPSAT-UHFFFAOYSA-N
XLogP2.81
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
N'-furo[3,2-c]pyridin-4-ylbutane-1,4-diamine
CID 106535053
N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 63256061
N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 55168209
N-[2-(3-methoxyphenyl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702656
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-(3-ethoxypropyl)furo[3,2-c]pyridin-4-amine
CID 103702457
N-(4-pyridin-3-ylbutyl)isoquinolin-1-amine
CID 67942240
N-[(3-fluorophenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702615
N-[(3-ethoxyphenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702660
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508

Frequently Asked Questions

What is the IUPAC name of N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 106535281) is N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine is c1cncc(CNCCCNc2nccc3occc23)c1.
What is the InChIKey of N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is ITAKADWGCFPSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-13(11-17-6-1)12-18-7-2-8-19-16-14-5-10-21-15(14)4-9-20-16/h1,3-6,9-11,18H,2,7-8,12H2,(H,19,20).
What are the key properties of N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 106535281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).