3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C17H25N3O2 — CID 56918676

IUPAC3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCN(C)C1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1
InChIInChI=1S/C17H25N3O2/c1-19(2)13-6-4-9-20(10-8-13)17(22)14-11-12-5-3-7-15(12)18-16(14)21/h11,13H,3-10H2,1-2H3,(H,18,21)
InChIKeyOCYDFPASMMCFPE-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.42
Rot. Bonds2

About 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 56918676) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID56918676
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCN(C)C1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1
InChIInChI=1S/C17H25N3O2/c1-19(2)13-6-4-9-20(10-8-13)17(22)14-11-12-5-3-7-15(12)18-16(14)21/h11,13H,3-10H2,1-2H3,(H,18,21)
InChIKeyOCYDFPASMMCFPE-UHFFFAOYSA-N
XLogP1.42
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 56918676) is 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is CN(C)C1CCCN(C(=O)c2cc3c([nH]c2=O)CCC3)CC1.
What is the InChIKey of 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is OCYDFPASMMCFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(2)13-6-4-9-20(10-8-13)17(22)14-11-12-5-3-7-15(12)18-16(14)21/h11,13H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)azepane-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 56918676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).