N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide

C29H27N5O — CID 156744882

About N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide

N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide (PubChem CID 156744882) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide
• PubChem CID: 156744882
• Molecular Formula: C29H27N5O
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.22
• IUPAC Name: N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide
• SMILES: Cc1cccc(-c2nn(CC(=O)NCc3c(C)cccc3C)cc2-c2ccnc3ccccc23)n1
• InChI: InChI=1S/C29H27N5O/c1-19-8-6-9-20(2)24(19)16-31-28(35)18-34-17-25(29(33-34)27-13-7-10-21(3)32-27)22-14-15-30-26-12-5-4-11-23(22)26/h4-15,17H,16,18H2,1-3H3,(H,31,35)
• InChIKey: ASBSBHZHYFFHTL-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide?

The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide (CID 156744882) is N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide.

What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide?

The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide is Cc1cccc(-c2nn(CC(=O)NCc3c(C)cccc3C)cc2-c2ccnc3ccccc23)n1.

What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide?

The InChIKey is ASBSBHZHYFFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-19-8-6-9-20(2)24(19)16-31-28(35)18-34-17-25(29(33-34)27-13-7-10-21(3)32-27)22-14-15-30-26-12-5-4-11-23(22)26/h4-15,17H,16,18H2,1-3H3,(H,31,35).

What are the key properties of N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide?

N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide has a molecular weight of 461.57 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,6-dimethylphenyl)methyl]-2-[3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 156744882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).