3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide

C17H15N5O4 — CID 46690618

IUPAC3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
SMILESNc1nccnc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C17H15N5O4/c18-15-14(19-8-9-20-15)17(24)22-21-16(23)13-7-6-12(26-13)10-25-11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,20)(H,21,23)(H,22,24)
InChIKeyDAJVTBFIIRTLDD-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.31
Rot. Bonds5

About 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide

3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide (PubChem CID 46690618) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound Name3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
PubChem CID46690618
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC Name3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
SMILESNc1nccnc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C17H15N5O4/c18-15-14(19-8-9-20-15)17(24)22-21-16(23)13-7-6-12(26-13)10-25-11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,20)(H,21,23)(H,22,24)
InChIKeyDAJVTBFIIRTLDD-UHFFFAOYSA-N
XLogP1.31
TPSA132.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.31
H-Bond Donors ≤ 53
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-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
CID 9219810
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide?
The IUPAC name of 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide (CID 46690618) is 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide?
The canonical SMILES for 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide is Nc1nccnc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide?
The InChIKey is DAJVTBFIIRTLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c18-15-14(19-8-9-20-15)17(24)22-21-16(23)13-7-6-12(26-13)10-25-11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,20)(H,21,23)(H,22,24).
What are the key properties of 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide?
3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide has a molecular weight of 353.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 46690618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).