2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide

C31H24N4O2 — CID 156902521

IUPAC2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(Nc3ccnc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C31H24N4O2/c32-21-10-8-20(9-11-21)18-30(36)35-23-14-12-22(13-15-23)34-24-16-17-33-28(19-24)27-6-3-5-26-25-4-1-2-7-29(25)37-31(26)27/h1-17,19H,18,32H2,(H,33,34)(H,35,36)
InChIKeyOUHQWUSYNLNDKZ-UHFFFAOYSA-N
MW484.56 g/mol
LogP7.16
Rot. Bonds6

About 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide

2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide (PubChem CID 156902521) has the molecular formula C31H24N4O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
PubChem CID156902521
Molecular FormulaC31H24N4O2
Molecular Weight484.56 g/mol
Exact Mass484.19
IUPAC Name2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(Nc3ccnc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C31H24N4O2/c32-21-10-8-20(9-11-21)18-30(36)35-23-14-12-22(13-15-23)34-24-16-17-33-28(19-24)27-6-3-5-26-25-4-1-2-7-29(25)37-31(26)27/h1-17,19H,18,32H2,(H,33,34)(H,35,36)
InChIKeyOUHQWUSYNLNDKZ-UHFFFAOYSA-N
XLogP7.16
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
CID 156902621
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide
CID 156902536
tert-butyl N-[2-[4-[[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 156902528
tert-butyl N-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
CID 156902552
N-[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-4-(dimethylamino)benzamide
CID 156902546
tert-butyl N-[2-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 156902609
[2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid
CID 66961946
tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
CID 156902638
5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 66963332
4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67319878
4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67319437
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide (CID 156902521) is 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide is Nc1ccc(CC(=O)Nc2ccc(Nc3ccnc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide?
The InChIKey is OUHQWUSYNLNDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O2/c32-21-10-8-20(9-11-21)18-30(36)35-23-14-12-22(13-15-23)34-24-16-17-33-28(19-24)27-6-3-5-26-25-4-1-2-7-29(25)37-31(26)27/h1-17,19H,18,32H2,(H,33,34)(H,35,36).
What are the key properties of 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide?
2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide has a molecular weight of 484.56 g/mol, XLogP of 7.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide is sourced from PubChem (CID 156902521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).