N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

C20H28N6O — CID 110093773

About N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide

N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110093773) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• PubChem CID: 110093773
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• SMILES: CCN(CC)C(=O)CN1CCC(c2cccc(Nc3ncccn3)n2)CC1
• InChI: InChI=1S/C20H28N6O/c1-3-26(4-2)19(27)15-25-13-9-16(10-14-25)17-7-5-8-18(23-17)24-20-21-11-6-12-22-20/h5-8,11-12,16H,3-4,9-10,13-15H2,1-2H3,(H,21,22,23,24)
• InChIKey: XVNSOZXQNHYQFI-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

The IUPAC name of N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110093773) is N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

What is the SMILES notation for N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

The canonical SMILES for N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(c2cccc(Nc3ncccn3)n2)CC1.

What is the InChIKey of N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

The InChIKey is XVNSOZXQNHYQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-3-26(4-2)19(27)15-25-13-9-16(10-14-25)17-7-5-8-18(23-17)24-20-21-11-6-12-22-20/h5-8,11-12,16H,3-4,9-10,13-15H2,1-2H3,(H,21,22,23,24).

What are the key properties of N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide?

N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 368.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-[4-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110093773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).