N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide

C16H15N3O3 — CID 797840

IUPACN'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide
SMILESO=C1C=C(NNC(=O)c2cccnc2)C[C@@H](c2ccco2)C1
InChIInChI=1S/C16H15N3O3/c20-14-8-12(15-4-2-6-22-15)7-13(9-14)18-19-16(21)11-3-1-5-17-10-11/h1-6,9-10,12,18H,7-8H2,(H,19,21)/t12-/m1/s1
InChIKeyMWGQTFCXCHHPEG-GFCCVEGCSA-N
MW297.31 g/mol
LogP1.94
Rot. Bonds4

About N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide

N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide (PubChem CID 797840) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide
PubChem CID797840
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide
SMILESO=C1C=C(NNC(=O)c2cccnc2)C[C@@H](c2ccco2)C1
InChIInChI=1S/C16H15N3O3/c20-14-8-12(15-4-2-6-22-15)7-13(9-14)18-19-16(21)11-3-1-5-17-10-11/h1-6,9-10,12,18H,7-8H2,(H,19,21)/t12-/m1/s1
InChIKeyMWGQTFCXCHHPEG-GFCCVEGCSA-N
XLogP1.94
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 3708096
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine-3-carbohydrazide
CID 12764873
N'-(4-phenylcyclohexen-1-yl)pyridine-3-carbohydrazide
CID 3462848
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
N-[7-(furan-2-yl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2886839
N'-pyridin-2-ylpyridine-3-carbohydrazide
CID 69416476
3-(furan-2-yl)-N-[(pyridine-3-carbonylamino)carbamothioyl]prop-2-enamide
CID 3132655
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134

Frequently Asked Questions

What is the IUPAC name of N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide (CID 797840) is N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide is O=C1C=C(NNC(=O)c2cccnc2)C[C@@H](c2ccco2)C1.
What is the InChIKey of N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide?
The InChIKey is MWGQTFCXCHHPEG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-14-8-12(15-4-2-6-22-15)7-13(9-14)18-19-16(21)11-3-1-5-17-10-11/h1-6,9-10,12,18H,7-8H2,(H,19,21)/t12-/m1/s1.
What are the key properties of N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide?
N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide has a molecular weight of 297.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5R)-5-(furan-2-yl)-3-oxocyclohexen-1-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 797840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).