N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide

C32H26N4O2 — CID 156902536

IUPACN-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccccc1C(=O)Nc1ccc(Nc2ccnc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C32H26N4O2/c1-36(2)29-12-5-3-9-27(29)32(37)35-22-16-14-21(15-17-22)34-23-18-19-33-28(20-23)26-11-7-10-25-24-8-4-6-13-30(24)38-31(25)26/h3-20H,1-2H3,(H,33,34)(H,35,37)
InChIKeyMSCXBYXWVUDAFW-UHFFFAOYSA-N
MW498.59 g/mol
LogP7.71
Rot. Bonds6

About N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide

N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide (PubChem CID 156902536) has the molecular formula C32H26N4O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide
PubChem CID156902536
Molecular FormulaC32H26N4O2
Molecular Weight498.59 g/mol
Exact Mass498.21
IUPAC NameN-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccccc1C(=O)Nc1ccc(Nc2ccnc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C32H26N4O2/c1-36(2)29-12-5-3-9-27(29)32(37)35-22-16-14-21(15-17-22)34-23-18-19-33-28(20-23)26-11-7-10-25-24-8-4-6-13-30(24)38-31(25)26/h3-20H,1-2H3,(H,33,34)(H,35,37)
InChIKeyMSCXBYXWVUDAFW-UHFFFAOYSA-N
XLogP7.71
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-4-(dimethylamino)benzamide
CID 156902546
4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
CID 156902621
tert-butyl N-[2-[4-[[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 156902528
2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
CID 156902521
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 156902519
tert-butyl N-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
CID 156902552
tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
CID 156902638
tert-butyl-[2-[[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]carbamic acid
CID 69021754
2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67320165
tert-butyl N-[2-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 156902609
N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide
CID 66962968
[2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid
CID 66961946

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide?
The IUPAC name of N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide (CID 156902536) is N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide?
The canonical SMILES for N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide is CN(C)c1ccccc1C(=O)Nc1ccc(Nc2ccnc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide?
The InChIKey is MSCXBYXWVUDAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O2/c1-36(2)29-12-5-3-9-27(29)32(37)35-22-16-14-21(15-17-22)34-23-18-19-33-28(20-23)26-11-7-10-25-24-8-4-6-13-30(24)38-31(25)26/h3-20H,1-2H3,(H,33,34)(H,35,37).
What are the key properties of N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide?
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide has a molecular weight of 498.59 g/mol, XLogP of 7.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide is sourced from PubChem (CID 156902536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).