tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate

C36H36Cl2N6O7 — CID 171490208

About tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate

tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate (PubChem CID 171490208) has the molecular formula C36H36Cl2N6O7 and a molecular weight of 735.63 g/mol. Its IUPAC name is tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
• PubChem CID: 171490208
• Molecular Formula: C36H36Cl2N6O7
• Molecular Weight: 735.63 g/mol
• Exact Mass: 734.20
• IUPAC Name: tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
• SMILES: COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CN(C[C@@H]5CCC(=O)N5)C(=O)OC(C)(C)C)c(OC)n4)c3Cl)c2Cl)ncc1C=O
• InChI: InChI=1S/C36H36Cl2N6O7/c1-36(2,3)51-35(48)44(18-22-10-12-29(46)41-22)17-20-9-11-25(43-34(20)50-5)23-13-14-39-32(31(23)38)24-7-6-8-26(30(24)37)42-33(47)27-15-28(49-4)21(19-45)16-40-27/h6-9,11,13-16,19,22H,10,12,17-18H2,1-5H3,(H,41,46)(H,42,47)/t22-/m0/s1
• InChIKey: AGJBCTPCMHDQJI-QFIPXVFZSA-N
• XLogP: 6.61
• TPSA: 161.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.63
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate (CID 171490208) is tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate is COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CN(C[C@@H]5CCC(=O)N5)C(=O)OC(C)(C)C)c(OC)n4)c3Cl)c2Cl)ncc1C=O.

What is the InChIKey of tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?

The InChIKey is AGJBCTPCMHDQJI-QFIPXVFZSA-N. The full InChI is InChI=1S/C36H36Cl2N6O7/c1-36(2,3)51-35(48)44(18-22-10-12-29(46)41-22)17-20-9-11-25(43-34(20)50-5)23-13-14-39-32(31(23)38)24-7-6-8-26(30(24)37)42-33(47)27-15-28(49-4)21(19-45)16-40-27/h6-9,11,13-16,19,22H,10,12,17-18H2,1-5H3,(H,41,46)(H,42,47)/t22-/m0/s1.

What are the key properties of tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?

tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate has a molecular weight of 735.63 g/mol, XLogP of 6.61, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[6-[3-chloro-2-[2-chloro-3-[(5-formyl-4-methoxypyridine-2-carbonyl)amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 171490208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).