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

C23H17N3O5 — CID 44522187

IUPACN-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccccc1-c1cccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)n1
InChIInChI=1S/C23H17N3O5/c1-30-20-11-3-2-8-17(20)19-10-5-9-18(25-19)15-6-4-7-16(14-15)24-23(27)21-12-13-22(31-21)26(28)29/h2-14H,1H3,(H,24,27)
InChIKeyFBOZZZBRGHHINV-UHFFFAOYSA-N
MW415.41 g/mol
LogP5.18
Rot. Bonds6

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

N-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 44522187) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID44522187
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC NameN-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccccc1-c1cccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)n1
InChIInChI=1S/C23H17N3O5/c1-30-20-11-3-2-8-17(20)19-10-5-9-18(25-19)15-6-4-7-16(14-15)24-23(27)21-12-13-22(31-21)26(28)29/h2-14H,1H3,(H,24,27)
InChIKeyFBOZZZBRGHHINV-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide (CID 44522187) is N-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide is COc1ccccc1-c1cccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)n1.
What is the InChIKey of N-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is FBOZZZBRGHHINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5/c1-30-20-11-3-2-8-17(20)19-10-5-9-18(25-19)15-6-4-7-16(14-15)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-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
N-[3-[6-(2-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-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 44522187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).