N-(3-aminopropyl)-5-nitrofuran-2-carboxamide

C8H11N3O4 — CID 24697621

IUPACN-(3-aminopropyl)-5-nitrofuran-2-carboxamide
SMILESNCCCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H11N3O4/c9-4-1-5-10-8(12)6-2-3-7(15-6)11(13)14/h2-3H,1,4-5,9H2,(H,10,12)
InChIKeyLOZYPSZDMCOCGW-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.27
Rot. Bonds5

About N-(3-aminopropyl)-5-nitrofuran-2-carboxamide

N-(3-aminopropyl)-5-nitrofuran-2-carboxamide (PubChem CID 24697621) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-nitrofuran-2-carboxamide
PubChem CID24697621
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC NameN-(3-aminopropyl)-5-nitrofuran-2-carboxamide
SMILESNCCCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H11N3O4/c9-4-1-5-10-8(12)6-2-3-7(15-6)11(13)14/h2-3H,1,4-5,9H2,(H,10,12)
InChIKeyLOZYPSZDMCOCGW-UHFFFAOYSA-N
XLogP0.27
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
N-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
CID 61129714
5-nitro-N-[2-(4-nitroanilino)ethyl]furan-2-carboxamide
CID 26445857
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide
CID 47117300
2-hydroxy-4-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 114006197
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-nitrofuran-2-carboxamide
CID 51196836

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-nitrofuran-2-carboxamide (CID 24697621) is N-(3-aminopropyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-nitrofuran-2-carboxamide is NCCCNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(3-aminopropyl)-5-nitrofuran-2-carboxamide?
The InChIKey is LOZYPSZDMCOCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c9-4-1-5-10-8(12)6-2-3-7(15-6)11(13)14/h2-3H,1,4-5,9H2,(H,10,12).
What are the key properties of N-(3-aminopropyl)-5-nitrofuran-2-carboxamide?
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide has a molecular weight of 213.19 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 24697621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).