N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide

C37H41ClN8O5 — CID 171489696

About N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide

N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide (PubChem CID 171489696) has the molecular formula C37H41ClN8O5 and a molecular weight of 713.24 g/mol. Its IUPAC name is N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide
• PubChem CID: 171489696
• Molecular Formula: C37H41ClN8O5
• Molecular Weight: 713.24 g/mol
• Exact Mass: 712.29
• IUPAC Name: N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide
• SMILES: COc1cnc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC[C@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2C)cc1CNC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C37H41ClN8O5/c1-21-26(5-4-6-28(21)45-36(49)30-15-23(31(50-2)20-42-30)17-40-19-25-9-12-33(48)44-25)35-34(38)27(13-14-41-35)29-10-7-22(37(46-29)51-3)16-39-18-24-8-11-32(47)43-24/h4-7,10,13-15,20,24-25,39-40H,8-9,11-12,16-19H2,1-3H3,(H,43,47)(H,44,48)(H,45,49)/t24-,25+/m1/s1
• InChIKey: SJYUKQCUUBOZQL-RPBOFIJWSA-N
• XLogP: 4.17
• TPSA: 168.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	713.24
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide (CID 171489696) is N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide.

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

The canonical SMILES for N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide is COc1cnc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC[C@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2C)cc1CNC[C@@H]1CCC(=O)N1.

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

The InChIKey is SJYUKQCUUBOZQL-RPBOFIJWSA-N. The full InChI is InChI=1S/C37H41ClN8O5/c1-21-26(5-4-6-28(21)45-36(49)30-15-23(31(50-2)20-42-30)17-40-19-25-9-12-33(48)44-25)35-34(38)27(13-14-41-35)29-10-7-22(37(46-29)51-3)16-39-18-24-8-11-32(47)43-24/h4-7,10,13-15,20,24-25,39-40H,8-9,11-12,16-19H2,1-3H3,(H,43,47)(H,44,48)(H,45,49)/t24-,25+/m1/s1.

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

N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide has a molecular weight of 713.24 g/mol, XLogP of 4.17, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 171489696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).