N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide

C10H15N3O4 — CID 2247579

IUPACN-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H15N3O4/c1-12(2)7-3-6-11-10(14)8-4-5-9(17-8)13(15)16/h4-5H,3,6-7H2,1-2H3,(H,11,14)
InChIKeyVDCUKJRGHJAYON-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.87
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide

N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide (PubChem CID 2247579) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide
PubChem CID2247579
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H15N3O4/c1-12(2)7-3-6-11-10(14)8-4-5-9(17-8)13(15)16/h4-5H,3,6-7H2,1-2H3,(H,11,14)
InChIKeyVDCUKJRGHJAYON-UHFFFAOYSA-N
XLogP0.87
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide (CID 2247579) is N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide is CN(C)CCCNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide?
The InChIKey is VDCUKJRGHJAYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-12(2)7-3-6-11-10(14)8-4-5-9(17-8)13(15)16/h4-5H,3,6-7H2,1-2H3,(H,11,14).
What are the key properties of N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 2247579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).