N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

C14H13N3O6 — CID 90512094

IUPACN-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C14H13N3O6/c18-13(15-6-10-2-1-5-22-10)9-7-16(8-9)14(19)11-3-4-12(23-11)17(20)21/h1-5,9H,6-8H2,(H,15,18)
InChIKeyXVWFCLUKMQUHMN-UHFFFAOYSA-N
MW319.27 g/mol
LogP1.17
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90512094) has the molecular formula C14H13N3O6 and a molecular weight of 319.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
PubChem CID90512094
Molecular FormulaC14H13N3O6
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC NameN-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C14H13N3O6/c18-13(15-6-10-2-1-5-22-10)9-7-16(8-9)14(19)11-3-4-12(23-11)17(20)21/h1-5,9H,6-8H2,(H,15,18)
InChIKeyXVWFCLUKMQUHMN-UHFFFAOYSA-N
XLogP1.17
TPSA118.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512301
1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
CID 90512311
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511972
N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
CID 33097638
N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512234
1-(3,4-difluorobenzoyl)-N-(furan-2-ylmethyl)azetidine-3-carboxamide
CID 56724413
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
CID 90512210
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511974
N-(furan-2-ylmethyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785666
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512170
1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512250

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (CID 90512094) is N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is O=C(NCc1ccco1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is XVWFCLUKMQUHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O6/c18-13(15-6-10-2-1-5-22-10)9-7-16(8-9)14(19)11-3-4-12(23-11)17(20)21/h1-5,9H,6-8H2,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 319.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).