N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide

C24H38N6O2 — CID 110262407

About N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide

N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide (PubChem CID 110262407) has the molecular formula C24H38N6O2 and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide
• PubChem CID: 110262407
• Molecular Formula: C24H38N6O2
• Molecular Weight: 442.61 g/mol
• Exact Mass: 442.31
• IUPAC Name: N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide
• SMILES: CNc1nc(C2CCCCN2C(=O)CC2(NC(C)=O)CCCCC2)nc2c1CN(C)CC2
• InChI: InChI=1S/C24H38N6O2/c1-17(31)28-24(11-6-4-7-12-24)15-21(32)30-13-8-5-9-20(30)23-26-19-10-14-29(3)16-18(19)22(25-2)27-23/h20H,4-16H2,1-3H3,(H,28,31)(H,25,26,27)
• InChIKey: ILVRUNAGTVUUNO-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.61
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide?

The IUPAC name of N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide (CID 110262407) is N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide.

What is the SMILES notation for N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide?

The canonical SMILES for N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide is CNc1nc(C2CCCCN2C(=O)CC2(NC(C)=O)CCCCC2)nc2c1CN(C)CC2.

What is the InChIKey of N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide?

The InChIKey is ILVRUNAGTVUUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O2/c1-17(31)28-24(11-6-4-7-12-24)15-21(32)30-13-8-5-9-20(30)23-26-19-10-14-29(3)16-18(19)22(25-2)27-23/h20H,4-16H2,1-3H3,(H,28,31)(H,25,26,27).

What are the key properties of N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide?

N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide has a molecular weight of 442.61 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[2-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]cyclohexyl]acetamide is sourced from PubChem (CID 110262407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).