N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide

C39H43N7O3 — CID 166739035

About N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide

N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide (PubChem CID 166739035) has the molecular formula C39H43N7O3 and a molecular weight of 657.82 g/mol. Its IUPAC name is N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide
• PubChem CID: 166739035
• Molecular Formula: C39H43N7O3
• Molecular Weight: 657.82 g/mol
• Exact Mass: 657.34
• IUPAC Name: N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide
• SMILES: [H]/N=C(\c1ccc([C@@H](C)NC=O)c(C)c1)c1cc(-c2ccc(C3CCN(CCc4ccc(C5CCC(=O)NC5=O)cc4)CC3)nc2)cnc1N
• InChI: InChI=1S/C39H43N7O3/c1-24-19-29(7-9-32(24)25(2)44-23-47)37(40)34-20-31(22-43-38(34)41)30-8-11-35(42-21-30)28-14-17-46(18-15-28)16-13-26-3-5-27(6-4-26)33-10-12-36(48)45-39(33)49/h3-9,11,19-23,25,28,33,40H,10,12-18H2,1-2H3,(H2,41,43)(H,44,47)(H,45,48,49)/b40-37+/t25-,33?/m1/s1
• InChIKey: GFJCMLLRSMUKFJ-XTWAEUMISA-N
• XLogP: 5.20
• TPSA: 154.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.82
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide?

The IUPAC name of N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide (CID 166739035) is N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide.

What is the SMILES notation for N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide?

The canonical SMILES for N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide is [H]/N=C(\c1ccc([C@@H](C)NC=O)c(C)c1)c1cc(-c2ccc(C3CCN(CCc4ccc(C5CCC(=O)NC5=O)cc4)CC3)nc2)cnc1N.

What is the InChIKey of N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide?

The InChIKey is GFJCMLLRSMUKFJ-XTWAEUMISA-N. The full InChI is InChI=1S/C39H43N7O3/c1-24-19-29(7-9-32(24)25(2)44-23-47)37(40)34-20-31(22-43-38(34)41)30-8-11-35(42-21-30)28-14-17-46(18-15-28)16-13-26-3-5-27(6-4-26)33-10-12-36(48)45-39(33)49/h3-9,11,19-23,25,28,33,40H,10,12-18H2,1-2H3,(H2,41,43)(H,44,47)(H,45,48,49)/b40-37+/t25-,33?/m1/s1.

What are the key properties of N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide?

N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide has a molecular weight of 657.82 g/mol, XLogP of 5.20, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[4-[2-amino-5-[6-[1-[2-[4-(2,6-dioxopiperidin-3-yl)phenyl]ethyl]piperidin-4-yl]-3-pyridinyl]pyridine-3-carboximidoyl]-2-methylphenyl]ethyl]formamide is sourced from PubChem (CID 166739035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).