N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide

C22H31N5O — CID 95813548

About N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide

N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 95813548) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
• PubChem CID: 95813548
• Molecular Formula: C22H31N5O
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.25
• IUPAC Name: N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
• SMILES: CCN(CC)C(=O)CN1CCC[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1
• InChI: InChI=1S/C22H31N5O/c1-4-27(5-2)22(28)16-26-13-7-9-18(15-26)20-12-11-19(14-23-20)25-21-10-6-8-17(3)24-21/h6,8,10-12,14,18H,4-5,7,9,13,15-16H2,1-3H3,(H,24,25)/t18-/m0/s1
• InChIKey: VBPUHLNUKFNTRN-SFHVURJKSA-N
• XLogP: 3.58
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide?

The IUPAC name of N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide (CID 95813548) is N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide.

What is the SMILES notation for N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide?

The canonical SMILES for N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1.

What is the InChIKey of N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide?

The InChIKey is VBPUHLNUKFNTRN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31N5O/c1-4-27(5-2)22(28)16-26-13-7-9-18(15-26)20-12-11-19(14-23-20)25-21-10-6-8-17(3)24-21/h6,8,10-12,14,18H,4-5,7,9,13,15-16H2,1-3H3,(H,24,25)/t18-/m0/s1.

What are the key properties of N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide?

N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95813548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).