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

C21H30N6O2 — CID 110093178

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

N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110093178) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• PubChem CID: 110093178
• Molecular Formula: C21H30N6O2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.24
• IUPAC Name: N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• SMILES: COCC(C)NC(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1
• InChI: InChI=1S/C21H30N6O2/c1-15-11-18(26-21-22-7-4-8-23-21)12-19(24-15)17-5-9-27(10-6-17)13-20(28)25-16(2)14-29-3/h4,7-8,11-12,16-17H,5-6,9-10,13-14H2,1-3H3,(H,25,28)(H,22,23,24,26)
• InChIKey: FZMQIPDOAJRASU-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110093178) is N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

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

The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is COCC(C)NC(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1.

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

The InChIKey is FZMQIPDOAJRASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-15-11-18(26-21-22-7-4-8-23-21)12-19(24-15)17-5-9-27(10-6-17)13-20(28)25-16(2)14-29-3/h4,7-8,11-12,16-17H,5-6,9-10,13-14H2,1-3H3,(H,25,28)(H,22,23,24,26).

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

N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110093178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).