N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide

C34H35Cl2N7O5 — CID 171490236

About N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide (PubChem CID 171490236) has the molecular formula C34H35Cl2N7O5 and a molecular weight of 692.60 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide
• PubChem CID: 171490236
• Molecular Formula: C34H35Cl2N7O5
• Molecular Weight: 692.60 g/mol
• Exact Mass: 691.21
• IUPAC Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide
• SMILES: COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC[C@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ncc1CN1CC(O)C1
• InChI: InChI=1S/C34H35Cl2N7O5/c1-47-28-12-27(39-14-20(28)16-43-17-22(44)18-43)33(46)41-26-5-3-4-24(30(26)35)32-31(36)23(10-11-38-32)25-8-6-19(34(42-25)48-2)13-37-15-21-7-9-29(45)40-21/h3-6,8,10-12,14,21-22,37,44H,7,9,13,15-18H2,1-2H3,(H,40,45)(H,41,46)/t21-/m1/s1
• InChIKey: LETPPBDRFMIDBA-OAQYLSRUSA-N
• XLogP: 4.33
• TPSA: 150.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	692.60
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide (CID 171490236) is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide is COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC[C@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ncc1CN1CC(O)C1.

What is the InChIKey of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide?

The InChIKey is LETPPBDRFMIDBA-OAQYLSRUSA-N. The full InChI is InChI=1S/C34H35Cl2N7O5/c1-47-28-12-27(39-14-20(28)16-43-17-22(44)18-43)33(46)41-26-5-3-4-24(30(26)35)32-31(36)23(10-11-38-32)25-8-6-19(34(42-25)48-2)13-37-15-21-7-9-29(45)40-21/h3-6,8,10-12,14,21-22,37,44H,7,9,13,15-18H2,1-2H3,(H,40,45)(H,41,46)/t21-/m1/s1.

What are the key properties of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide?

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 692.60 g/mol, XLogP of 4.33, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-hydroxyazetidin-1-yl)methyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 171490236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).