N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide

C37H41ClN6O4 — CID 171489765

About N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide

N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide (PubChem CID 171489765) has the molecular formula C37H41ClN6O4 and a molecular weight of 669.23 g/mol. Its IUPAC name is N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 171489765
• Molecular Formula: C37H41ClN6O4
• Molecular Weight: 669.23 g/mol
• Exact Mass: 668.29
• IUPAC Name: N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
• SMILES: COc1cc(-c2nccc(-c3cccc(NC(=O)c4ccc(CN5CC[C@H](O)C5)cn4)c3C)c2Cl)ccc1CN(C)C[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C37H41ClN6O4/c1-23-29(5-4-6-31(23)42-37(47)32-11-7-24(18-40-32)19-44-16-14-28(45)22-44)30-13-15-39-36(35(30)38)25-8-9-26(33(17-25)48-3)20-43(2)21-27-10-12-34(46)41-27/h4-9,11,13,15,17-18,27-28,45H,10,12,14,16,19-22H2,1-3H3,(H,41,46)(H,42,47)/t27-,28-/m0/s1
• InChIKey: UXDMFGRQRMENJD-NSOVKSMOSA-N
• XLogP: 5.31
• TPSA: 119.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.23
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide (CID 171489765) is N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide is COc1cc(-c2nccc(-c3cccc(NC(=O)c4ccc(CN5CC[C@H](O)C5)cn4)c3C)c2Cl)ccc1CN(C)C[C@@H]1CCC(=O)N1.

What is the InChIKey of N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide?

The InChIKey is UXDMFGRQRMENJD-NSOVKSMOSA-N. The full InChI is InChI=1S/C37H41ClN6O4/c1-23-29(5-4-6-31(23)42-37(47)32-11-7-24(18-40-32)19-44-16-14-28(45)22-44)30-13-15-39-36(35(30)38)25-8-9-26(33(17-25)48-3)20-43(2)21-27-10-12-34(46)41-27/h4-9,11,13,15,17-18,27-28,45H,10,12,14,16,19-22H2,1-3H3,(H,41,46)(H,42,47)/t27-,28-/m0/s1.

What are the key properties of N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide?

N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide has a molecular weight of 669.23 g/mol, XLogP of 5.31, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-chloro-2-[3-methoxy-4-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]phenyl]-4-pyridinyl]-2-methylphenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 171489765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).