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

C34H37Cl2N7O5 — CID 171489601

About N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[[[(2R)-2-hydroxypropyl]amino]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-[[[(2R)-2-hydroxypropyl]amino]methyl]-4-methoxypyridine-2-carboxamide (PubChem CID 171489601) has the molecular formula C34H37Cl2N7O5 and a molecular weight of 694.62 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-[[[(2R)-2-hydroxypropyl]amino]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-[[[(2R)-2-hydroxypropyl]amino]methyl]-4-methoxypyridine-2-carboxamide
• PubChem CID: 171489601
• Molecular Formula: C34H37Cl2N7O5
• Molecular Weight: 694.62 g/mol
• Exact Mass: 693.22
• 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-[[[(2R)-2-hydroxypropyl]amino]methyl]-4-methoxypyridine-2-carboxamide
• SMILES: COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC[C@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ncc1CNC[C@@H](C)O
• InChI: InChI=1S/C34H37Cl2N7O5/c1-19(44)14-37-16-21-17-40-27(13-28(21)47-2)33(46)42-26-6-4-5-24(30(26)35)32-31(36)23(11-12-39-32)25-9-7-20(34(43-25)48-3)15-38-18-22-8-10-29(45)41-22/h4-7,9,11-13,17,19,22,37-38,44H,8,10,14-16,18H2,1-3H3,(H,41,45)(H,42,46)/t19-,22-/m1/s1
• InChIKey: WUAWAYUHMFZXLZ-DENIHFKCSA-N
• XLogP: 4.62
• TPSA: 159.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	694.62
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	5
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-[[[(2R)-2-hydroxypropyl]amino]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-[[[(2R)-2-hydroxypropyl]amino]methyl]-4-methoxypyridine-2-carboxamide (CID 171489601) is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[[[(2R)-2-hydroxypropyl]amino]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-[[[(2R)-2-hydroxypropyl]amino]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-[[[(2R)-2-hydroxypropyl]amino]methyl]-4-methoxypyridine-2-carboxamide is COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC[C@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ncc1CNC[C@@H](C)O.

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-[[[(2R)-2-hydroxypropyl]amino]methyl]-4-methoxypyridine-2-carboxamide?

The InChIKey is WUAWAYUHMFZXLZ-DENIHFKCSA-N. The full InChI is InChI=1S/C34H37Cl2N7O5/c1-19(44)14-37-16-21-17-40-27(13-28(21)47-2)33(46)42-26-6-4-5-24(30(26)35)32-31(36)23(11-12-39-32)25-9-7-20(34(43-25)48-3)15-38-18-22-8-10-29(45)41-22/h4-7,9,11-13,17,19,22,37-38,44H,8,10,14-16,18H2,1-3H3,(H,41,45)(H,42,46)/t19-,22-/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-[[[(2R)-2-hydroxypropyl]amino]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-[[[(2R)-2-hydroxypropyl]amino]methyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 694.62 g/mol, XLogP of 4.62, 14 rotatable bonds, 5 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-[[[(2R)-2-hydroxypropyl]amino]methyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 171489601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).