N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide

C18H15N3O5 — CID 17021061

IUPACN-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)nc1
InChIInChI=1S/C18H15N3O5/c1-12-6-9-17(19-10-12)20-18(22)16-8-7-13(26-16)11-25-15-5-3-2-4-14(15)21(23)24/h2-10H,11H2,1H3,(H,19,20,22)
InChIKeyUJAORJYPSOYFPQ-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.72
Rot. Bonds6

About N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide

N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 17021061) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID17021061
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC NameN-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)nc1
InChIInChI=1S/C18H15N3O5/c1-12-6-9-17(19-10-12)20-18(22)16-8-7-13(26-16)11-25-15-5-3-2-4-14(15)21(23)24/h2-10H,11H2,1H3,(H,19,20,22)
InChIKeyUJAORJYPSOYFPQ-UHFFFAOYSA-N
XLogP3.72
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (CID 17021061) is N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is UJAORJYPSOYFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-12-6-9-17(19-10-12)20-18(22)16-8-7-13(26-16)11-25-15-5-3-2-4-14(15)21(23)24/h2-10H,11H2,1H3,(H,19,20,22).
What are the key properties of N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 17021061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).