N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide

C10H13N3O4 — CID 107423013

IUPACN-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide
SMILESCC1(NC(=O)c2ccc([N+](=O)[O-])o2)CCNC1
InChIInChI=1S/C10H13N3O4/c1-10(4-5-11-6-10)12-9(14)7-2-3-8(17-7)13(15)16/h2-3,11H,4-6H2,1H3,(H,12,14)
InChIKeyJISRHQOULPLDBS-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.67
Rot. Bonds3

About N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide

N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide (PubChem CID 107423013) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide
PubChem CID107423013
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC NameN-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide
SMILESCC1(NC(=O)c2ccc([N+](=O)[O-])o2)CCNC1
InChIInChI=1S/C10H13N3O4/c1-10(4-5-11-6-10)12-9(14)7-2-3-8(17-7)13(15)16/h2-3,11H,4-6H2,1H3,(H,12,14)
InChIKeyJISRHQOULPLDBS-UHFFFAOYSA-N
XLogP0.67
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
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

5-ethyl-N-(3-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 107422841
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N-(3-methylpyrrolidin-3-yl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 107422852
[4-methyl-4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 115304279
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-nitrofuran-2-carboxamide
CID 43594400
7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide
CID 107422643
2,8-diazaspiro[5.5]undecan-2-yl-(5-nitrofuran-2-yl)methanone
CID 102849848
N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 107422675
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-(3-methylpyrrolidin-3-yl)pyridazine-4-carboxamide
CID 107423050
2-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-3-carboxamide
CID 107423053

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide (CID 107423013) is N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide is CC1(NC(=O)c2ccc([N+](=O)[O-])o2)CCNC1.
What is the InChIKey of N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is JISRHQOULPLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(4-5-11-6-10)12-9(14)7-2-3-8(17-7)13(15)16/h2-3,11H,4-6H2,1H3,(H,12,14).
What are the key properties of N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide?
N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 239.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpyrrolidin-3-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 107423013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).