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

C20H28N2O3 — CID 135213118

IUPAC[3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate
SMILESCC(=O)OC1CCc2c1ncc(NC(=O)C1CCCCCCC1)c2C
InChIInChI=1S/C20H28N2O3/c1-13-16-10-11-18(25-14(2)23)19(16)21-12-17(13)22-20(24)15-8-6-4-3-5-7-9-15/h12,15,18H,3-11H2,1-2H3,(H,22,24)
InChIKeyQLAOBHUULOQXIG-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.24
Rot. Bonds3

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

[3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate (PubChem CID 135213118) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate.

Molecular Properties

Compound Name[3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate
PubChem CID135213118
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate
SMILESCC(=O)OC1CCc2c1ncc(NC(=O)C1CCCCCCC1)c2C
InChIInChI=1S/C20H28N2O3/c1-13-16-10-11-18(25-14(2)23)19(16)21-12-17(13)22-20(24)15-8-6-4-3-5-7-9-15/h12,15,18H,3-11H2,1-2H3,(H,22,24)
InChIKeyQLAOBHUULOQXIG-UHFFFAOYSA-N
XLogP4.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate with MolForge

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Related Compounds

N-(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)cyclononanecarboxamide
CID 135213240
N-(4-methyl-2,3-dihydrofuro[2,3-b]pyridin-5-yl)cycloheptanecarboxamide
CID 146803946
(3-amino-4-cyclononyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl) acetate
CID 139313036
N-(7-hydroxy-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)acetamide
CID 90287320
N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide
CID 155453112
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
N-(2-methoxy-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 71983272
N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate
CID 132937573
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
CID 1452762
N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
CID 122304432
N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide
CID 149314243

Frequently Asked Questions

What is the IUPAC name of [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate?
The IUPAC name of [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate (CID 135213118) is [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate.
What is the SMILES notation for [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate?
The canonical SMILES for [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate is CC(=O)OC1CCc2c1ncc(NC(=O)C1CCCCCCC1)c2C.
What is the InChIKey of [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate?
The InChIKey is QLAOBHUULOQXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13-16-10-11-18(25-14(2)23)19(16)21-12-17(13)22-20(24)15-8-6-4-3-5-7-9-15/h12,15,18H,3-11H2,1-2H3,(H,22,24).
What are the key properties of [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate?
[3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate has a molecular weight of 344.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclooctanecarbonylamino)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate is sourced from PubChem (CID 135213118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).