2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide

C14H19N3O3 — CID 82522709

IUPAC2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide
SMILESNNC(=O)c1cc2c(n(CC3CCCO3)c1=O)CCC2
InChIInChI=1S/C14H19N3O3/c15-16-13(18)11-7-9-3-1-5-12(9)17(14(11)19)8-10-4-2-6-20-10/h7,10H,1-6,8,15H2,(H,16,18)
InChIKeyVUHYLVRROSWEBK-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.12
Rot. Bonds3

About 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide

2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide (PubChem CID 82522709) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide
PubChem CID82522709
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide
SMILESNNC(=O)c1cc2c(n(CC3CCCO3)c1=O)CCC2
InChIInChI=1S/C14H19N3O3/c15-16-13(18)11-7-9-3-1-5-12(9)17(14(11)19)8-10-4-2-6-20-10/h7,10H,1-6,8,15H2,(H,16,18)
InChIKeyVUHYLVRROSWEBK-UHFFFAOYSA-N
XLogP0.12
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522716
2-[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]acetyl chloride
CID 82522152
3-[(cyclopropylamino)methyl]-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522730
1-(oxolan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522169
2-[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-3-yl]acetonitrile
CID 82522163
1-cyclohexyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbohydrazide
CID 82522239
methyl 2-[[1-(1,3-dioxan-2-ylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-3-methylbutanoate
CID 67520080
methyl 2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoate
CID 11697361
3-(aminomethyl)-6-methyl-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521728
6-methyl-2-oxo-1-(oxolan-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 82521737
2-[[2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanoyl]-methylamino]acetic acid
CID 67519761
trifluoromethyl 2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]acetate
CID 67522317

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide?
The IUPAC name of 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide (CID 82522709) is 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide?
The canonical SMILES for 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide is NNC(=O)c1cc2c(n(CC3CCCO3)c1=O)CCC2.
What is the InChIKey of 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide?
The InChIKey is VUHYLVRROSWEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-16-13(18)11-7-9-3-1-5-12(9)17(14(11)19)8-10-4-2-6-20-10/h7,10H,1-6,8,15H2,(H,16,18).
What are the key properties of 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide?
2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide has a molecular weight of 277.32 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbohydrazide is sourced from PubChem (CID 82522709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).