(3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate

C19H28N2O2 — CID 139313036

IUPAC(3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
SMILESCC(=O)OC1CCc2c1ncc(N)c2C1CCCCCCCC1
InChIInChI=1S/C19H28N2O2/c1-13(22)23-17-11-10-15-18(16(20)12-21-19(15)17)14-8-6-4-2-3-5-7-9-14/h12,14,17H,2-11,20H2,1H3
InChIKeyXJOGCXDINWKIMY-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.43
Rot. Bonds2

About (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate

(3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate (PubChem CID 139313036) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate.

Molecular Properties

Compound Name(3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
PubChem CID139313036
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
SMILESCC(=O)OC1CCc2c1ncc(N)c2C1CCCCCCCC1
InChIInChI=1S/C19H28N2O2/c1-13(22)23-17-11-10-15-18(16(20)12-21-19(15)17)14-8-6-4-2-3-5-7-9-14/h12,14,17H,2-11,20H2,1H3
InChIKeyXJOGCXDINWKIMY-UHFFFAOYSA-N
XLogP4.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The IUPAC name of (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate (CID 139313036) is (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate.
What is the SMILES notation for (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The canonical SMILES for (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate is CC(=O)OC1CCc2c1ncc(N)c2C1CCCCCCCC1.
What is the InChIKey of (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
The InChIKey is XJOGCXDINWKIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(22)23-17-11-10-15-18(16(20)12-21-19(15)17)14-8-6-4-2-3-5-7-9-14/h12,14,17H,2-11,20H2,1H3.
What are the key properties of (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate?
(3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate has a molecular weight of 316.44 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate is sourced from PubChem (CID 139313036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).