2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide

C27H21N3O2 — CID 127024930

IUPAC2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2C)ccn1
InChIInChI=1S/C27H21N3O2/c1-16-11-18(15-29-26(16)19-9-10-28-17(2)12-19)13-25(31)30-20-7-8-22-21-5-3-4-6-23(21)27(32)24(22)14-20/h3-12,14-15H,13H2,1-2H3,(H,30,31)
InChIKeyTUQVGWZSKDQWEB-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.15
Rot. Bonds4

About 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide

2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide (PubChem CID 127024930) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide
PubChem CID127024930
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2C)ccn1
InChIInChI=1S/C27H21N3O2/c1-16-11-18(15-29-26(16)19-9-10-28-17(2)12-19)13-25(31)30-20-7-8-22-21-5-3-4-6-23(21)27(32)24(22)14-20/h3-12,14-15H,13H2,1-2H3,(H,30,31)
InChIKeyTUQVGWZSKDQWEB-UHFFFAOYSA-N
XLogP5.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide?
The IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide (CID 127024930) is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide.
What is the SMILES notation for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide?
The canonical SMILES for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide is Cc1cc(-c2ncc(CC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3-4)cc2C)ccn1.
What is the InChIKey of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide?
The InChIKey is TUQVGWZSKDQWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c1-16-11-18(15-29-26(16)19-9-10-28-17(2)12-19)13-25(31)30-20-7-8-22-21-5-3-4-6-23(21)27(32)24(22)14-20/h3-12,14-15H,13H2,1-2H3,(H,30,31).
What are the key properties of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide?
2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide has a molecular weight of 419.48 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(9-oxofluoren-2-yl)acetamide is sourced from PubChem (CID 127024930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).