2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine

C13H19ClN4 — CID 102809339

IUPAC2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NC2CCN3CCCC3C2)c1
InChIInChI=1S/C13H19ClN4/c14-12-6-9(15)7-13(17-12)16-10-3-5-18-4-1-2-11(18)8-10/h6-7,10-11H,1-5,8H2,(H3,15,16,17)
InChIKeyWCGJDLWCBWFMHY-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.36
Rot. Bonds2

About 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine

2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine (PubChem CID 102809339) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine
PubChem CID102809339
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine
SMILESNc1cc(Cl)nc(NC2CCN3CCCC3C2)c1
InChIInChI=1S/C13H19ClN4/c14-12-6-9(15)7-13(17-12)16-10-3-5-18-4-1-2-11(18)8-10/h6-7,10-11H,1-5,8H2,(H3,15,16,17)
InChIKeyWCGJDLWCBWFMHY-UHFFFAOYSA-N
XLogP2.36
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyrimidine-2,4-diamine
CID 112731021
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine
CID 113224826
5-amino-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-3-chlorobenzamide
CID 107196417
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dichloropyridine-4-carboxamide
CID 112731766
6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine
CID 115035891
6-chloro-2-N-(1-methylazetidin-3-yl)pyridine-2,4-diamine
CID 130834085
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
CID 137015539
6-chloro-2-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2,4-diamine
CID 104925398
6-chloro-N-(3-piperidin-1-ylcyclohexyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191931
N-(4-bromo-2,3-dichlorophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 107787830
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-methylbenzene-1,2-diamine
CID 113333804

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine?
The IUPAC name of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine (CID 102809339) is 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine.
What is the SMILES notation for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine?
The canonical SMILES for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine is Nc1cc(Cl)nc(NC2CCN3CCCC3C2)c1.
What is the InChIKey of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine?
The InChIKey is WCGJDLWCBWFMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-12-6-9(15)7-13(17-12)16-10-3-5-18-4-1-2-11(18)8-10/h6-7,10-11H,1-5,8H2,(H3,15,16,17).
What are the key properties of 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine?
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine has a molecular weight of 266.78 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine is sourced from PubChem (CID 102809339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).