N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

C22H23N3O6 — CID 32805465

IUPACN'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(Cn3ccccc3=O)o2)cc1
InChIInChI=1S/C22H23N3O6/c1-3-29-16-7-9-17(10-8-16)30-15(2)21(27)23-24-22(28)19-12-11-18(31-19)14-25-13-5-4-6-20(25)26/h4-13,15H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyOIMOXGMFPGMFCU-OAHLLOKOSA-N
MW425.44 g/mol
LogP2.12
Rot. Bonds8

About N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (PubChem CID 32805465) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
PubChem CID32805465
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(Cn3ccccc3=O)o2)cc1
InChIInChI=1S/C22H23N3O6/c1-3-29-16-7-9-17(10-8-16)30-15(2)21(27)23-24-22(28)19-12-11-18(31-19)14-25-13-5-4-6-20(25)26/h4-13,15H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyOIMOXGMFPGMFCU-OAHLLOKOSA-N
XLogP2.12
TPSA111.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethylbenzoyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134024433
N-[(2R)-1-ethoxy-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 124851092
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
N-[4-(difluoromethoxy)phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31328902
N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31344363
N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
(1-anilino-1-oxopropan-2-yl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 47019047
N-[(1R)-1-(2-fluorophenyl)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31343638
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31518398
5-[(2-oxo-1-pyridinyl)methyl]-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 134024480

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The IUPAC name of N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (CID 32805465) is N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(Cn3ccccc3=O)o2)cc1.
What is the InChIKey of N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The InChIKey is OIMOXGMFPGMFCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-3-29-16-7-9-17(10-8-16)30-15(2)21(27)23-24-22(28)19-12-11-18(31-19)14-25-13-5-4-6-20(25)26/h4-13,15H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1.
What are the key properties of N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide has a molecular weight of 425.44 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 32805465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).