3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide

C24H23N3O2 — CID 45138255

About 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide

3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 45138255) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
• PubChem CID: 45138255
• Molecular Formula: C24H23N3O2
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.18
• IUPAC Name: 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
• SMILES: Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3c(C)cccc3C#N)c2)nc1
• InChI: InChI=1S/C24H23N3O2/c1-15-7-8-22(26-13-15)19-9-20(23-16(2)5-4-6-18(23)12-25)11-21(10-19)24(29)27-17(3)14-28/h4-11,13,17,28H,14H2,1-3H3,(H,27,29)/t17-/m0/s1
• InChIKey: ZAAIYTJLBABPBQ-KRWDZBQOSA-N
• XLogP: 4.01
• TPSA: 86.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide?

The IUPAC name of 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide (CID 45138255) is 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide.

What is the SMILES notation for 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide?

The canonical SMILES for 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3c(C)cccc3C#N)c2)nc1.

What is the InChIKey of 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide?

The InChIKey is ZAAIYTJLBABPBQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-7-8-22(26-13-15)19-9-20(23-16(2)5-4-6-18(23)12-25)11-21(10-19)24(29)27-17(3)14-28/h4-11,13,17,28H,14H2,1-3H3,(H,27,29)/t17-/m0/s1.

What are the key properties of 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide?

3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 45138255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).