1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide

C16H16N4O5 — CID 90512311

IUPAC1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
SMILESO=C(NCCc1ccncc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C16H16N4O5/c21-15(18-8-5-11-3-6-17-7-4-11)12-9-19(10-12)16(22)13-1-2-14(25-13)20(23)24/h1-4,6-7,12H,5,8-10H2,(H,18,21)
InChIKeyIHOXPRFEUJYLRN-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.01
Rot. Bonds6

About 1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide

1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide (PubChem CID 90512311) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
PubChem CID90512311
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
SMILESO=C(NCCc1ccncc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C16H16N4O5/c21-15(18-8-5-11-3-6-17-7-4-11)12-9-19(10-12)16(22)13-1-2-14(25-13)20(23)24/h1-4,6-7,12H,5,8-10H2,(H,18,21)
InChIKeyIHOXPRFEUJYLRN-UHFFFAOYSA-N
XLogP1.01
TPSA118.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.01
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-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512234
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511974
N-(furan-2-ylmethyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512094
1-(5-nitrofuran-2-carbonyl)-N-pyridin-3-ylazetidine-3-carboxamide
CID 90512210
1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide
CID 90512076
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
1-(5-nitrofuran-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90512137
N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
CID 33097638
N-(2,5-dichlorophenyl)-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512170
methyl 4-[[1-(5-nitrofuran-2-carbonyl)azetidine-3-carbonyl]amino]benzoate
CID 90512154
1-(5-nitrofuran-2-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512250
N-butyl-N-ethyl-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512000

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide (CID 90512311) is 1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide is O=C(NCCc1ccncc1)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of 1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide?
The InChIKey is IHOXPRFEUJYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c21-15(18-8-5-11-3-6-17-7-4-11)12-9-19(10-12)16(22)13-1-2-14(25-13)20(23)24/h1-4,6-7,12H,5,8-10H2,(H,18,21).
What are the key properties of 1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide?
1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 1.01, 6 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-(2-pyridin-4-ylethyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).