N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

C19H17N5O7 — CID 90512301

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C19H17N5O7/c25-16-5-3-13(14-2-1-9-30-14)21-23(16)8-7-20-18(26)12-10-22(11-12)19(27)15-4-6-17(31-15)24(28)29/h1-6,9,12H,7-8,10-11H2,(H,20,26)
InChIKeyYDPJUEMTYDELGA-UHFFFAOYSA-N
MW427.37 g/mol
LogP0.89
Rot. Bonds7

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90512301) has the molecular formula C19H17N5O7 and a molecular weight of 427.37 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
PubChem CID90512301
Molecular FormulaC19H17N5O7
Molecular Weight427.37 g/mol
Exact Mass427.11
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C19H17N5O7/c25-16-5-3-13(14-2-1-9-30-14)21-23(16)8-7-20-18(26)12-10-22(11-12)19(27)15-4-6-17(31-15)24(28)29/h1-6,9,12H,7-8,10-11H2,(H,20,26)
InChIKeyYDPJUEMTYDELGA-UHFFFAOYSA-N
XLogP0.89
TPSA153.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

1-(1,3-benzodioxole-5-carbonyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]azetidine-3-carboxamide
CID 90512954
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511972
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
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide
CID 121034408
1-(5-nitrofuran-2-carbonyl)-N-(2-pyridin-4-ylethyl)azetidine-3-carboxamide
CID 90512311
N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512234
1-(5-nitrofuran-2-carbonyl)-N-(oxolan-2-ylmethyl)azetidine-3-carboxamide
CID 90512076
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
1-(1,3-benzothiazol-2-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]piperidine-4-carboxamide
CID 90609416
1-(5-nitrofuran-2-carbonyl)-N-[2-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90512137
6-(furan-2-yl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
CID 7659492

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide (CID 90512301) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is YDPJUEMTYDELGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O7/c25-16-5-3-13(14-2-1-9-30-14)21-23(16)8-7-20-18(26)12-10-22(11-12)19(27)15-4-6-17(31-15)24(28)29/h1-6,9,12H,7-8,10-11H2,(H,20,26).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 427.37 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90512301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).