6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine

C14H19N3O — CID 114095356

IUPAC6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2C3C4CCC(C4)C23)n1
InChIInChI=1S/C14H19N3O/c1-18-10-5-4-9(15)14(16-10)17-13-11-7-2-3-8(6-7)12(11)13/h4-5,7-8,11-13H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyUYPNEFOLZRRGSQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds3

About 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine

6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine (PubChem CID 114095356) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine
PubChem CID114095356
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NC2C3C4CCC(C4)C23)n1
InChIInChI=1S/C14H19N3O/c1-18-10-5-4-9(15)14(16-10)17-13-11-7-2-3-8(6-7)12(11)13/h4-5,7-8,11-13H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyUYPNEFOLZRRGSQ-UHFFFAOYSA-N
XLogP2.13
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclohexyl-6-methoxypyridine-2,3-diamine
CID 115320270
6-methoxy-2-N-(2-methylcyclohexyl)pyridine-2,3-diamine
CID 113286375
6-methoxy-2-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2,3-diamine
CID 115320463
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
2-N-(3-ethyl-2-methylcyclopentyl)-6-methoxypyridine-2,3-diamine
CID 115320867
6-methoxy-2-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
CID 115320849
6-methoxy-2-N-propan-2-ylpyridine-2,3-diamine
CID 115320271
2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine
CID 113286474
6-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 114096512
[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113286599
6-methoxy-2-N-(4-methylpiperazin-1-yl)pyridine-2,3-diamine
CID 83005986
6-methoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,3-diamine
CID 106217296

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine (CID 114095356) is 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine is COc1ccc(N)c(NC2C3C4CCC(C4)C23)n1.
What is the InChIKey of 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine?
The InChIKey is UYPNEFOLZRRGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-10-5-4-9(15)14(16-10)17-13-11-7-2-3-8(6-7)12(11)13/h4-5,7-8,11-13H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine?
6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine is sourced from PubChem (CID 114095356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).