[4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate

C23H16N2O4 — CID 122534977

IUPAC[4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(OC=O)cc3)nc(-c3ccco3)c2)cc1
InChIInChI=1S/C23H16N2O4/c24-23(27)17-5-3-15(4-6-17)18-12-20(16-7-9-19(10-8-16)29-14-26)25-21(13-18)22-2-1-11-28-22/h1-14H,(H2,24,27)
InChIKeyZBGWHQQOUPLPRR-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.31
Rot. Bonds6

About [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate

[4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate (PubChem CID 122534977) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate.

Molecular Properties

Compound Name[4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate
PubChem CID122534977
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name[4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(OC=O)cc3)nc(-c3ccco3)c2)cc1
InChIInChI=1S/C23H16N2O4/c24-23(27)17-5-3-15(4-6-17)18-12-20(16-7-9-19(10-8-16)29-14-26)25-21(13-18)22-2-1-11-28-22/h1-14H,(H2,24,27)
InChIKeyZBGWHQQOUPLPRR-UHFFFAOYSA-N
XLogP4.31
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formonitrile;4-[2-(furan-2-yl)-6-(4-methylphenyl)-4-pyridinyl]benzamide
CID 144862660
4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde
CID 145124285
4-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide
CID 168863587
4-(furan-2-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 75360077
3-[6-(furan-2-yl)-4-phenyl-2-pyridinyl]phenol
CID 46887133
4-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-6-(furan-2-yl)-4-pyridinyl]benzamide
CID 168863692
2-(4-chlorophenyl)-4-(3-fluorophenyl)-6-(furan-2-yl)pyridine
CID 102139512
4-[2-(furan-2-yl)-2-oxoethoxy]benzamide
CID 60624189
4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
CID 10621568
4-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 24718358
4-ethenoxybenzamide
CID 66368618
4-[2-amino-3-(aminomethyl)-6-(furan-2-yl)-4-pyridinyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 142908399

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate?
The IUPAC name of [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate (CID 122534977) is [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate.
What is the SMILES notation for [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate?
The canonical SMILES for [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate is NC(=O)c1ccc(-c2cc(-c3ccc(OC=O)cc3)nc(-c3ccco3)c2)cc1.
What is the InChIKey of [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate?
The InChIKey is ZBGWHQQOUPLPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c24-23(27)17-5-3-15(4-6-17)18-12-20(16-7-9-19(10-8-16)29-14-26)25-21(13-18)22-2-1-11-28-22/h1-14H,(H2,24,27).
What are the key properties of [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate?
[4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate has a molecular weight of 384.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-carbamoylphenyl)-6-(furan-2-yl)-2-pyridinyl]phenyl] formate is sourced from PubChem (CID 122534977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).