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

C32H33Cl2N7O4 — CID 171489520

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (PubChem CID 171489520) has the molecular formula C32H33Cl2N7O4 and a molecular weight of 650.57 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
• PubChem CID: 171489520
• Molecular Formula: C32H33Cl2N7O4
• Molecular Weight: 650.57 g/mol
• Exact Mass: 649.20
• IUPAC Name: N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
• SMILES: COc1nc(-c2ccnc(-c3cccc(NC(=O)c4ccc(CNCCO)cn4)c3Cl)c2Cl)ccc1CNCC1CCC(=O)N1
• InChI: InChI=1S/C32H33Cl2N7O4/c1-45-32-20(17-36-18-21-7-10-27(43)39-21)6-9-24(41-32)22-11-12-37-30(29(22)34)23-3-2-4-25(28(23)33)40-31(44)26-8-5-19(16-38-26)15-35-13-14-42/h2-6,8-9,11-12,16,21,35-36,42H,7,10,13-15,17-18H2,1H3,(H,39,43)(H,40,44)
• InChIKey: MNWJYXYTOMWGGX-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 150.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.57
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	5
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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (CID 171489520) is N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is COc1nc(-c2ccnc(-c3cccc(NC(=O)c4ccc(CNCCO)cn4)c3Cl)c2Cl)ccc1CNCC1CCC(=O)N1.

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

The InChIKey is MNWJYXYTOMWGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2N7O4/c1-45-32-20(17-36-18-21-7-10-27(43)39-21)6-9-24(41-32)22-11-12-37-30(29(22)34)23-3-2-4-25(28(23)33)40-31(44)26-8-5-19(16-38-26)15-35-13-14-42/h2-6,8-9,11-12,16,21,35-36,42H,7,10,13-15,17-18H2,1H3,(H,39,43)(H,40,44).

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

N-[2-chloro-3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide has a molecular weight of 650.57 g/mol, XLogP of 4.22, 13 rotatable bonds, 5 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-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 171489520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).