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

C34H36Cl2FN7O4 — CID 171490145

About N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide (PubChem CID 171490145) has the molecular formula C34H36Cl2FN7O4 and a molecular weight of 696.61 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide
• PubChem CID: 171490145
• Molecular Formula: C34H36Cl2FN7O4
• Molecular Weight: 696.61 g/mol
• Exact Mass: 695.22
• IUPAC Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide
• SMILES: COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC[C@@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ncc1CNCCCF
• InChI: InChI=1S/C34H36Cl2FN7O4/c1-47-28-15-27(41-18-21(28)17-38-13-4-12-37)33(46)43-26-6-3-5-24(30(26)35)32-31(36)23(11-14-40-32)25-9-7-20(34(44-25)48-2)16-39-19-22-8-10-29(45)42-22/h3,5-7,9,11,14-15,18,22,38-39H,4,8,10,12-13,16-17,19H2,1-2H3,(H,42,45)(H,43,46)/t22-/m0/s1
• InChIKey: PZCXDWXDJSTBRT-QFIPXVFZSA-N
• XLogP: 5.60
• TPSA: 139.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.61
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide (CID 171490145) is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide.

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

The canonical SMILES for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide is COc1cc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNC[C@@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ncc1CNCCCF.

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

The InChIKey is PZCXDWXDJSTBRT-QFIPXVFZSA-N. The full InChI is InChI=1S/C34H36Cl2FN7O4/c1-47-28-15-27(41-18-21(28)17-38-13-4-12-37)33(46)43-26-6-3-5-24(30(26)35)32-31(36)23(11-14-40-32)25-9-7-20(34(44-25)48-2)16-39-19-22-8-10-29(45)42-22/h3,5-7,9,11,14-15,18,22,38-39H,4,8,10,12-13,16-17,19H2,1-2H3,(H,42,45)(H,43,46)/t22-/m0/s1.

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 696.61 g/mol, XLogP of 5.60, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(3-fluoropropylamino)methyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 171490145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).