N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

C18H14BrN3O5 — CID 43840692

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ncc(Br)cc3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14BrN3O5/c1-10-7-11(19)9-20-17(10)21-18(23)16-6-5-15(27-16)13-4-3-12(26-2)8-14(13)22(24)25/h3-9H,1-2H3,(H,20,21,23)
InChIKeyLBDJJYNQTJECCL-UHFFFAOYSA-N
MW432.23 g/mol
LogP4.58
Rot. Bonds5

About N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide

N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (PubChem CID 43840692) has the molecular formula C18H14BrN3O5 and a molecular weight of 432.23 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
PubChem CID43840692
Molecular FormulaC18H14BrN3O5
Molecular Weight432.23 g/mol
Exact Mass431.01
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ncc(Br)cc3C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14BrN3O5/c1-10-7-11(19)9-20-17(10)21-18(23)16-6-5-15(27-16)13-4-3-12(26-2)8-14(13)22(24)25/h3-9H,1-2H3,(H,20,21,23)
InChIKeyLBDJJYNQTJECCL-UHFFFAOYSA-N
XLogP4.58
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.23
LogP ≤ 54.58
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

5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 7465117
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840683
N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840667
N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 7465174
5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
CID 17274075
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414
methyl 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43840710
N-(5-bromo-3-methyl-2-pyridinyl)-5-chlorofuran-2-carboxamide
CID 81489265
N-(3-bromo-4-morpholin-4-ylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17220784
N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
CID 81487581
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 9150497

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide (CID 43840692) is N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3ncc(Br)cc3C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
The InChIKey is LBDJJYNQTJECCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O5/c1-10-7-11(19)9-20-17(10)21-18(23)16-6-5-15(27-16)13-4-3-12(26-2)8-14(13)22(24)25/h3-9H,1-2H3,(H,20,21,23).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide has a molecular weight of 432.23 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 43840692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).