5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide

C14H17N3O3 — CID 63575748

IUPAC5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COCCCc2ccncc2)c1
InChIInChI=1S/C14H17N3O3/c15-17-14(18)12-8-13(20-9-12)10-19-7-1-2-11-3-5-16-6-4-11/h3-6,8-9H,1-2,7,10,15H2,(H,17,18)
InChIKeyGZOPGQOFSPSQID-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.43
Rot. Bonds7

About 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide

5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide (PubChem CID 63575748) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide
PubChem CID63575748
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COCCCc2ccncc2)c1
InChIInChI=1S/C14H17N3O3/c15-17-14(18)12-8-13(20-9-12)10-19-7-1-2-11-3-5-16-6-4-11/h3-6,8-9H,1-2,7,10,15H2,(H,17,18)
InChIKeyGZOPGQOFSPSQID-UHFFFAOYSA-N
XLogP1.43
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethoxyethoxymethyl)furan-3-carbohydrazide
CID 63588537
3-(3-phenylpropoxymethyl)benzohydrazide
CID 63569149
N-methyl-1-[5-(3-pyridin-4-ylpropoxymethyl)-1,2-oxazol-3-yl]methanamine
CID 55077964
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
N-[[3-methyl-5-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]ethanamine
CID 62450592
methyl 3-(3-pyridin-4-ylpropoxy)propanoate
CID 29006354
4-fluoro-2-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43443918
5-[(2-nitro-3-pyridinyl)oxymethyl]furan-3-carbohydrazide
CID 63575736
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765
5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
CID 63576172
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide?
The IUPAC name of 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide (CID 63575748) is 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide.
What is the SMILES notation for 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide?
The canonical SMILES for 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide is NNC(=O)c1coc(COCCCc2ccncc2)c1.
What is the InChIKey of 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide?
The InChIKey is GZOPGQOFSPSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-17-14(18)12-8-13(20-9-12)10-19-7-1-2-11-3-5-16-6-4-11/h3-6,8-9H,1-2,7,10,15H2,(H,17,18).
What are the key properties of 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide?
5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide has a molecular weight of 275.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-4-ylpropoxymethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63575748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).