N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide

C23H34FN5O — CID 139471561

About N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide

N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide (PubChem CID 139471561) has the molecular formula C23H34FN5O and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide.

Molecular Properties

• Compound Name: N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide
• PubChem CID: 139471561
• Molecular Formula: C23H34FN5O
• Molecular Weight: 415.56 g/mol
• Exact Mass: 415.27
• IUPAC Name: N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide
• SMILES: CCC(=O)N(CC(C)(C)N1CCN(CCc2ncccc2F)CC1)C1=CCCC=N1
• InChI: InChI=1S/C23H34FN5O/c1-4-22(30)29(21-9-5-6-11-26-21)18-23(2,3)28-16-14-27(15-17-28)13-10-20-19(24)8-7-12-25-20/h7-9,11-12H,4-6,10,13-18H2,1-3H3
• InChIKey: KRCYKLFPGJAHFS-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 52.04 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.56
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide?

The IUPAC name of N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide (CID 139471561) is N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide.

What is the SMILES notation for N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide?

The canonical SMILES for N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide is CCC(=O)N(CC(C)(C)N1CCN(CCc2ncccc2F)CC1)C1=CCCC=N1.

What is the InChIKey of N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide?

The InChIKey is KRCYKLFPGJAHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN5O/c1-4-22(30)29(21-9-5-6-11-26-21)18-23(2,3)28-16-14-27(15-17-28)13-10-20-19(24)8-7-12-25-20/h7-9,11-12H,4-6,10,13-18H2,1-3H3.

What are the key properties of N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide?

N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide has a molecular weight of 415.56 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide is sourced from PubChem (CID 139471561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).