N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide

C25H27N3O2 — CID 167700140

About N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide

N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide (PubChem CID 167700140) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide
• PubChem CID: 167700140
• Molecular Formula: C25H27N3O2
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.21
• IUPAC Name: N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide
• SMILES: CCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3cccnc3C)nc2)cc1
• InChI: InChI=1S/C25H27N3O2/c1-4-25(30)28(3)17-19-7-9-21(10-8-19)22-11-13-23(27-16-22)24(29)14-12-20-6-5-15-26-18(20)2/h5-11,13,15-16H,4,12,14,17H2,1-3H3
• InChIKey: PCQWHARLFLUNSG-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 63.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide (CID 167700140) is N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide.

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

The canonical SMILES for N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide is CCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3cccnc3C)nc2)cc1.

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

The InChIKey is PCQWHARLFLUNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-4-25(30)28(3)17-19-7-9-21(10-8-19)22-11-13-23(27-16-22)24(29)14-12-20-6-5-15-26-18(20)2/h5-11,13,15-16H,4,12,14,17H2,1-3H3.

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

N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide has a molecular weight of 401.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide is sourced from PubChem (CID 167700140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).