N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide

C18H15N3O5 — CID 3550402

IUPACN-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)n1
InChIInChI=1S/C18H15N3O5/c1-12-5-4-8-17(19-12)20-18(22)16-10-9-13(26-16)11-25-15-7-3-2-6-14(15)21(23)24/h2-10H,11H2,1H3,(H,19,20,22)
InChIKeyZHJULLVFDQIPBR-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.72
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide

N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 3550402) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID3550402
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC NameN-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)n1
InChIInChI=1S/C18H15N3O5/c1-12-5-4-8-17(19-12)20-18(22)16-10-9-13(26-16)11-25-15-7-3-2-6-14(15)21(23)24/h2-10H,11H2,1H3,(H,19,20,22)
InChIKeyZHJULLVFDQIPBR-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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Related Compounds

N,N'-2,6-pyridinediylbis(5-methyl-2-furamide)
CID 897337
5-[(2,4-dichlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)-2-furamide
CID 1269620
5-[(2-methoxy-4-propylphenoxy)methyl]-N-(6-methyl-2-pyridinyl)-2-furamide
CID 1269641
5-[(4-ethoxyphenoxy)methyl]-N-(6-methyl-2-pyridinyl)-2-furamide
CID 2165954
N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide
CID 823976
N-(1-Furan-2-YL-ethyl)-2-(2-nitro-phenoxy)-N-pyridin-2-YL-acetamide
CID 5202460
N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenoxy)-N-(pyridin-2-yl)acetamide
CID 16015835
N-(furan-2-ylmethyl)-2-(6-methyl-2-nitropyridin-3-yl)oxyacetamide
CID 4017755
N-(6-methylpyridin-2-yl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24240394
N-(2-furylmethyl)-2-(2-nitrophenoxy)-N-(2-pyridyl)acetamide
CID 16015805
N-(5-methylpyridin-2-yl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 17021061
5-[(4-fluorophenoxy)methyl]-N-(5-nitropyridin-2-yl)furan-2-carboxamide
CID 4054316

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide (CID 3550402) is N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is ZHJULLVFDQIPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-12-5-4-8-17(19-12)20-18(22)16-10-9-13(26-16)11-25-15-7-3-2-6-14(15)21(23)24/h2-10H,11H2,1H3,(H,19,20,22).
What are the key properties of N-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide?
N-(6-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-(6-methyl-2-pyridinyl)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 3550402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).