5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine

C12H16ClN3O — CID 170715446

IUPAC5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine
SMILESCN1CC2(CC(Oc3cc(N)ncc3Cl)C2)C1
InChIInChI=1S/C12H16ClN3O/c1-16-6-12(7-16)3-8(4-12)17-10-2-11(14)15-5-9(10)13/h2,5,8H,3-4,6-7H2,1H3,(H2,14,15)
InChIKeyOKCMYOOEBILSHO-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.79
Rot. Bonds2

About 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine

5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine (PubChem CID 170715446) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine
PubChem CID170715446
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine
SMILESCN1CC2(CC(Oc3cc(N)ncc3Cl)C2)C1
InChIInChI=1S/C12H16ClN3O/c1-16-6-12(7-16)3-8(4-12)17-10-2-11(14)15-5-9(10)13/h2,5,8H,3-4,6-7H2,1H3,(H2,14,15)
InChIKeyOKCMYOOEBILSHO-UHFFFAOYSA-N
XLogP1.79
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-cyclobutyloxypyridin-2-amine
CID 170715785
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
5-bromo-4-(4-methylcyclohexyl)oxypyridin-2-amine
CID 166607102
4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 46942138
(2-amino-5-chloro-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114923574
5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117448772
5-chloro-2-[(5S)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-4-amine
CID 155630776
5-bromo-4-N-(1-methylpiperidin-4-yl)pyridine-2,4-diamine
CID 59613548
4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117492733
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292
ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
CID 171786154
5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine
CID 139405515

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine (CID 170715446) is 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine is CN1CC2(CC(Oc3cc(N)ncc3Cl)C2)C1.
What is the InChIKey of 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine?
The InChIKey is OKCMYOOEBILSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-16-6-12(7-16)3-8(4-12)17-10-2-11(14)15-5-9(10)13/h2,5,8H,3-4,6-7H2,1H3,(H2,14,15).
What are the key properties of 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine?
5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine has a molecular weight of 253.73 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]pyridin-2-amine is sourced from PubChem (CID 170715446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).