1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide

C14H12N4O5 — CID 90512210

IUPAC1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C14H12N4O5/c19-13(16-10-2-1-5-15-6-10)9-7-17(8-9)14(20)11-3-4-12(23-11)18(21)22/h1-6,9H,7-8H2,(H,16,19)
InChIKeyYTXQNTWDMCJVSX-UHFFFAOYSA-N
MW316.27 g/mol
LogP1.29
Rot. Bonds4

About 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide

1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide (PubChem CID 90512210) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
PubChem CID90512210
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC Name1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C14H12N4O5/c19-13(16-10-2-1-5-15-6-10)9-7-17(8-9)14(20)11-3-4-12(23-11)18(21)22/h1-6,9H,7-8H2,(H,16,19)
InChIKeyYTXQNTWDMCJVSX-UHFFFAOYSA-N
XLogP1.29
TPSA118.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.29
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

methyl 4-[[1-(5-nitrofuran-2-carbonyl)azetidine-3-carbonyl]amino]benzoate
CID 90512154
1-(5-nitrofuran-2-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 33089265
1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
CID 90512311
1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512250
1-(5-nitrofuran-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90512137
N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512170
N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512094
N-pyridin-3-yl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511163
1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide
CID 90512076
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511974
(2-methylpiperidin-1-yl)-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
CID 90512014
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
CID 90511987

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide?
The IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide (CID 90512210) is 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide?
The canonical SMILES for 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide is O=C(Nc1cccnc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide?
The InChIKey is YTXQNTWDMCJVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5/c19-13(16-10-2-1-5-15-6-10)9-7-17(8-9)14(20)11-3-4-12(23-11)18(21)22/h1-6,9H,7-8H2,(H,16,19).
What are the key properties of 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide?
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide has a molecular weight of 316.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90512210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).