N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

C26H21N3O2 — CID 127028963

IUPACN-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)oc3ccccc34)cc2C)ccn1
InChIInChI=1S/C26H21N3O2/c1-16-11-18(15-28-26(16)19-9-10-27-17(2)12-19)13-25(30)29-20-7-8-22-21-5-3-4-6-23(21)31-24(22)14-20/h3-12,14-15H,13H2,1-2H3,(H,29,30)
InChIKeyPREKXANZMDTWNO-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.84
Rot. Bonds4

About N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide

N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 127028963) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
PubChem CID127028963
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC NameN-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)oc3ccccc34)cc2C)ccn1
InChIInChI=1S/C26H21N3O2/c1-16-11-18(15-28-26(16)19-9-10-27-17(2)12-19)13-25(30)29-20-7-8-22-21-5-3-4-6-23(21)31-24(22)14-20/h3-12,14-15H,13H2,1-2H3,(H,29,30)
InChIKeyPREKXANZMDTWNO-UHFFFAOYSA-N
XLogP5.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide (CID 127028963) is N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is Cc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)oc3ccccc34)cc2C)ccn1.
What is the InChIKey of N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is PREKXANZMDTWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-16-11-18(15-28-26(16)19-9-10-27-17(2)12-19)13-25(30)29-20-7-8-22-21-5-3-4-6-23(21)31-24(22)14-20/h3-12,14-15H,13H2,1-2H3,(H,29,30).
What are the key properties of N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide?
N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 127028963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).