N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide

C38H47Cl2N9O3 — CID 168752340

About N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide

N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 168752340) has the molecular formula C38H47Cl2N9O3 and a molecular weight of 748.76 g/mol. Its IUPAC name is N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 168752340
• Molecular Formula: C38H47Cl2N9O3
• Molecular Weight: 748.76 g/mol
• Exact Mass: 747.32
• IUPAC Name: N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
• SMILES: CC1(NC(=O)C2CCN(CC3CCN(c4cc(C5CCC(=O)NC5=O)ccn4)CC3)CC2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
• InChI: InChI=1S/C38H47Cl2N9O3/c1-38(12-19-49(20-13-38)31-22-43-34(35(41)44-31)28-3-2-4-29(39)33(28)40)46-36(51)25-10-15-47(16-11-25)23-24-8-17-48(18-9-24)30-21-26(7-14-42-30)27-5-6-32(50)45-37(27)52/h2-4,7,14,21-22,24-25,27H,5-6,8-13,15-20,23H2,1H3,(H2,41,44)(H,46,51)(H,45,50,52)
• InChIKey: YZAGDQKNNWFWHH-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 149.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.76
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide (CID 168752340) is N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide is CC1(NC(=O)C2CCN(CC3CCN(c4cc(C5CCC(=O)NC5=O)ccn4)CC3)CC2)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1.

What is the InChIKey of N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?

The InChIKey is YZAGDQKNNWFWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47Cl2N9O3/c1-38(12-19-49(20-13-38)31-22-43-34(35(41)44-31)28-3-2-4-29(39)33(28)40)46-36(51)25-10-15-47(16-11-25)23-24-8-17-48(18-9-24)30-21-26(7-14-42-30)27-5-6-32(50)45-37(27)52/h2-4,7,14,21-22,24-25,27H,5-6,8-13,15-20,23H2,1H3,(H2,41,44)(H,46,51)(H,45,50,52).

What are the key properties of N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide?

N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 748.76 g/mol, XLogP of 5.05, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]-1-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidin-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 168752340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).