1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C12H17N3O2 — CID 82522799

IUPAC1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(n(CCOC)c1=O)CCC2
InChIInChI=1S/C12H17N3O2/c1-17-6-5-15-10-4-2-3-8(10)7-9(11(13)14)12(15)16/h7H,2-6H2,1H3,(H3,13,14)
InChIKeyQITOBGFEZKBZAM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.27
Rot. Bonds4

About 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 82522799) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID82522799
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(n(CCOC)c1=O)CCC2
InChIInChI=1S/C12H17N3O2/c1-17-6-5-15-10-4-2-3-8(10)7-9(11(13)14)12(15)16/h7H,2-6H2,1H3,(H3,13,14)
InChIKeyQITOBGFEZKBZAM-UHFFFAOYSA-N
XLogP0.27
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-3-(piperazine-1-carbonyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522794
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82522028
1-[[1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 70696001
1-(2-methoxyethyl)-N-methyl-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 123653838
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82522939
[2-[[1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]phenyl] acetate
CID 67520039
3-(1-aminoethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522744
3-(2-aminopropan-2-yl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522751
3-(chloromethyl)-1-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522757
6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbohydrazide
CID 82521395
2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
CID 82447618
3-[4-(2-methoxyethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523315

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 82522799) is 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is [H]/N=C(\N)c1cc2c(n(CCOC)c1=O)CCC2.
What is the InChIKey of 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is QITOBGFEZKBZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-6-5-15-10-4-2-3-8(10)7-9(11(13)14)12(15)16/h7H,2-6H2,1H3,(H3,13,14).
What are the key properties of 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 82522799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).