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

C22H31N5O2 — CID 110093175

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

N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110093175) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• PubChem CID: 110093175
• Molecular Formula: C22H31N5O2
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.25
• IUPAC Name: N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
• SMILES: COCC(C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1
• InChI: InChI=1S/C22H31N5O2/c1-16-12-19(26-21-6-4-5-9-23-21)13-20(24-16)18-7-10-27(11-8-18)14-22(28)25-17(2)15-29-3/h4-6,9,12-13,17-18H,7-8,10-11,14-15H2,1-3H3,(H,25,28)(H,23,24,26)
• InChIKey: LACUKZXPOVJESI-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide (CID 110093175) is N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide.

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

The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is COCC(C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1.

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

The InChIKey is LACUKZXPOVJESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16-12-19(26-21-6-4-5-9-23-21)13-20(24-16)18-7-10-27(11-8-18)14-22(28)25-17(2)15-29-3/h4-6,9,12-13,17-18H,7-8,10-11,14-15H2,1-3H3,(H,25,28)(H,23,24,26).

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

N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methoxypropan-2-yl)-2-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110093175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).