2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile

C29H35N5 — CID 134379345

About 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile

2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile (PubChem CID 134379345) has the molecular formula C29H35N5 and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile.

Molecular Properties

• Compound Name: 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile
• PubChem CID: 134379345
• Molecular Formula: C29H35N5
• Molecular Weight: 453.63 g/mol
• Exact Mass: 453.29
• IUPAC Name: 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile
• SMILES: C=C(Nc1cnc(C)c(-c2cnc(C(CC)C(C)C)c(C)c2)c1)c1ccnc(C(C)(C)C#N)c1
• InChI: InChI=1S/C29H35N5/c1-9-25(18(2)3)28-19(4)12-23(15-33-28)26-14-24(16-32-21(26)6)34-20(5)22-10-11-31-27(13-22)29(7,8)17-30/h10-16,18,25,34H,5,9H2,1-4,6-8H3
• InChIKey: BVQHNVDVWUGIKV-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 74.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.63
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile?

The IUPAC name of 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile (CID 134379345) is 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile.

What is the SMILES notation for 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile?

The canonical SMILES for 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile is C=C(Nc1cnc(C)c(-c2cnc(C(CC)C(C)C)c(C)c2)c1)c1ccnc(C(C)(C)C#N)c1.

What is the InChIKey of 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile?

The InChIKey is BVQHNVDVWUGIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5/c1-9-25(18(2)3)28-19(4)12-23(15-33-28)26-14-24(16-32-21(26)6)34-20(5)22-10-11-31-27(13-22)29(7,8)17-30/h10-16,18,25,34H,5,9H2,1-4,6-8H3.

What are the key properties of 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile?

2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile has a molecular weight of 453.63 g/mol, XLogP of 7.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[4-[1-[[6-methyl-5-[5-methyl-6-(2-methylpentan-3-yl)-3-pyridinyl]-3-pyridinyl]amino]ethenyl]-2-pyridinyl]propanenitrile is sourced from PubChem (CID 134379345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).