5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide

C13H19N3O4 — CID 106610095

IUPAC5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H19N3O4/c1-9(2)15(8-10-4-3-7-14-10)13(17)11-5-6-12(20-11)16(18)19/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyLWVIAZBTBANYSV-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.79
Rot. Bonds5

About 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide

5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide (PubChem CID 106610095) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
PubChem CID106610095
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
SMILESCC(C)N(CC1CCCN1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H19N3O4/c1-9(2)15(8-10-4-3-7-14-10)13(17)11-5-6-12(20-11)16(18)19/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyLWVIAZBTBANYSV-UHFFFAOYSA-N
XLogP1.79
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631949
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 106626706
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
4-bromo-2-hydroxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609548
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106626695
5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609890
2-(4-chlorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626635
2-bromo-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983263
2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide (CID 106610095) is 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide is CC(C)N(CC1CCCN1)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is LWVIAZBTBANYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(2)15(8-10-4-3-7-14-10)13(17)11-5-6-12(20-11)16(18)19/h5-6,9-10,14H,3-4,7-8H2,1-2H3.
What are the key properties of 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide?
5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 106610095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).