ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

C29H32N4O — CID 143818025

About ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide

ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 143818025) has the molecular formula C29H32N4O and a molecular weight of 452.60 g/mol. Its IUPAC name is ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

• Compound Name: ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
• PubChem CID: 143818025
• Molecular Formula: C29H32N4O
• Molecular Weight: 452.60 g/mol
• Exact Mass: 452.26
• IUPAC Name: ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
• SMILES: CC.CNc1ccc(-c2cccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cn1
• InChI: InChI=1S/C27H26N4O.C2H6/c1-18-15-23(13-14-29-18)20-7-10-25(11-8-20)31-27(32)19(2)21-5-4-6-22(16-21)24-9-12-26(28-3)30-17-24;1-2/h4-17,19H,1-3H3,(H,28,30)(H,31,32);1-2H3
• InChIKey: ZDNQSJNWGKGIOA-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.60
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?

The IUPAC name of ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 143818025) is ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

What is the SMILES notation for ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?

The canonical SMILES for ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is CC.CNc1ccc(-c2cccc(C(C)C(=O)Nc3ccc(-c4ccnc(C)c4)cc3)c2)cn1.

What is the InChIKey of ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?

The InChIKey is ZDNQSJNWGKGIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O.C2H6/c1-18-15-23(13-14-29-18)20-7-10-25(11-8-20)31-27(32)19(2)21-5-4-6-22(16-21)24-9-12-26(28-3)30-17-24;1-2/h4-17,19H,1-3H3,(H,28,30)(H,31,32);1-2H3.

What are the key properties of ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?

ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 452.60 g/mol, XLogP of 6.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 143818025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).