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

C35H37Cl2N7O5 — CID 171489820

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 171489820) has the molecular formula C35H37Cl2N7O5 and a molecular weight of 706.63 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide
• PubChem CID: 171489820
• Molecular Formula: C35H37Cl2N7O5
• Molecular Weight: 706.63 g/mol
• Exact Mass: 705.22
• IUPAC Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide
• SMILES: COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNCC5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ncc1CN1CC(OC)C1
• InChI: InChI=1S/C35H37Cl2N7O5/c1-47-23-18-44(19-23)17-21-15-40-28(13-29(21)48-2)34(46)42-27-6-4-5-25(31(27)36)33-32(37)24(11-12-39-33)26-9-7-20(35(43-26)49-3)14-38-16-22-8-10-30(45)41-22/h4-7,9,11-13,15,22-23,38H,8,10,14,16-19H2,1-3H3,(H,41,45)(H,42,46)
• InChIKey: QCIAXEQKJGPVAP-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 139.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	706.63
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide (CID 171489820) is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide is COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNCC5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ncc1CN1CC(OC)C1.

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

The InChIKey is QCIAXEQKJGPVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37Cl2N7O5/c1-47-23-18-44(19-23)17-21-15-40-28(13-29(21)48-2)34(46)42-27-6-4-5-25(31(27)36)33-32(37)24(11-12-39-33)26-9-7-20(35(43-26)49-3)14-38-16-22-8-10-30(45)41-22/h4-7,9,11-13,15,22-23,38H,8,10,14,16-19H2,1-3H3,(H,41,45)(H,42,46).

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 706.63 g/mol, XLogP of 4.98, 13 rotatable bonds, 3 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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-4-methoxy-5-[(3-methoxyazetidin-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 171489820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).