N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide

C21H26N4O3 — CID 134543822

About N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide

N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide (PubChem CID 134543822) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide
• PubChem CID: 134543822
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide
• SMILES: CCC(=O)NCC(=O)N(C)CC(=O)NC(Cc1ccccn1)c1ccccc1
• InChI: InChI=1S/C21H26N4O3/c1-3-19(26)23-14-21(28)25(2)15-20(27)24-18(16-9-5-4-6-10-16)13-17-11-7-8-12-22-17/h4-12,18H,3,13-15H2,1-2H3,(H,23,26)(H,24,27)
• InChIKey: ZQWLGEUNXVENEY-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide?

The IUPAC name of N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide (CID 134543822) is N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide.

What is the SMILES notation for N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide?

The canonical SMILES for N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide is CCC(=O)NCC(=O)N(C)CC(=O)NC(Cc1ccccn1)c1ccccc1.

What is the InChIKey of N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide?

The InChIKey is ZQWLGEUNXVENEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-19(26)23-14-21(28)25(2)15-20(27)24-18(16-9-5-4-6-10-16)13-17-11-7-8-12-22-17/h4-12,18H,3,13-15H2,1-2H3,(H,23,26)(H,24,27).

What are the key properties of N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide?

N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 382.46 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 134543822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).