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

C32H26N4O2 — CID 156902621

IUPAC4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
SMILESNCCc1ccc(C(=O)Nc2ccc(Nc3ccnc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C32H26N4O2/c33-18-16-21-8-10-22(11-9-21)32(37)36-24-14-12-23(13-15-24)35-25-17-19-34-29(20-25)28-6-3-5-27-26-4-1-2-7-30(26)38-31(27)28/h1-15,17,19-20H,16,18,33H2,(H,34,35)(H,36,37)
InChIKeySBVNPCKCKGHXFD-UHFFFAOYSA-N
MW498.59 g/mol
LogP7.15
Rot. Bonds7

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

4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide (PubChem CID 156902621) has the molecular formula C32H26N4O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
PubChem CID156902621
Molecular FormulaC32H26N4O2
Molecular Weight498.59 g/mol
Exact Mass498.21
IUPAC Name4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
SMILESNCCc1ccc(C(=O)Nc2ccc(Nc3ccnc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C32H26N4O2/c33-18-16-21-8-10-22(11-9-21)32(37)36-24-14-12-23(13-15-24)35-25-17-19-34-29(20-25)28-6-3-5-27-26-4-1-2-7-30(26)38-31(27)28/h1-15,17,19-20H,16,18,33H2,(H,34,35)(H,36,37)
InChIKeySBVNPCKCKGHXFD-UHFFFAOYSA-N
XLogP7.15
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 57.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
CID 156902521
4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67319878
tert-butyl N-[2-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 156902609
tert-butyl N-[2-[4-[[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 156902528
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
N-[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-4-(dimethylamino)benzamide
CID 156902546
4-(2-aminoethyl)-N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 66963237
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide
CID 156902536
4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67319437
tert-butyl-[2-[4-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamic acid
CID 69021304
tert-butyl-[[4-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]methyl]carbamic acid
CID 69020380

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide (CID 156902621) is 4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide is NCCc1ccc(C(=O)Nc2ccc(Nc3ccnc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide?
The InChIKey is SBVNPCKCKGHXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O2/c33-18-16-21-8-10-22(11-9-21)32(37)36-24-14-12-23(13-15-24)35-25-17-19-34-29(20-25)28-6-3-5-27-26-4-1-2-7-30(26)38-31(27)28/h1-15,17,19-20H,16,18,33H2,(H,34,35)(H,36,37).
What are the key properties of 4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide?
4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide has a molecular weight of 498.59 g/mol, XLogP of 7.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide is sourced from PubChem (CID 156902621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).