N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide

C23H17N3O5 — CID 44522193

IUPACN-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCOc1cccc(-c2cccc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)n2)c1
InChIInChI=1S/C23H17N3O5/c1-30-18-5-2-4-16(14-18)20-7-3-6-19(25-20)15-8-10-17(11-9-15)24-23(27)21-12-13-22(31-21)26(28)29/h2-14H,1H3,(H,24,27)
InChIKeyBZIRHFQPKCPPHM-UHFFFAOYSA-N
MW415.41 g/mol
LogP5.18
Rot. Bonds6

About N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide

N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 44522193) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID44522193
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC NameN-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCOc1cccc(-c2cccc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)n2)c1
InChIInChI=1S/C23H17N3O5/c1-30-18-5-2-4-16(14-18)20-7-3-6-19(25-20)15-8-10-17(11-9-15)24-23(27)21-12-13-22(31-21)26(28)29/h2-14H,1H3,(H,24,27)
InChIKeyBZIRHFQPKCPPHM-UHFFFAOYSA-N
XLogP5.18
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 55.18
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'}

Analyze N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide (CID 44522193) is N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide is COc1cccc(-c2cccc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)n2)c1.
What is the InChIKey of N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is BZIRHFQPKCPPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5/c1-30-18-5-2-4-16(14-18)20-7-3-6-19(25-20)15-8-10-17(11-9-15)24-23(27)21-12-13-22(31-21)26(28)29/h2-14H,1H3,(H,24,27).
What are the key properties of N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 44522193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).