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

C34H38ClN7O5 — CID 171490330

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

N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide (PubChem CID 171490330) has the molecular formula C34H38ClN7O5 and a molecular weight of 660.18 g/mol. Its IUPAC name is N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide
• PubChem CID: 171490330
• Molecular Formula: C34H38ClN7O5
• Molecular Weight: 660.18 g/mol
• Exact Mass: 659.26
• IUPAC Name: N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide
• SMILES: COc1nc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNCC5CCC(=O)N5)c(OC)n4)c3Cl)c2C)ccc1CNCCO
• InChI: InChI=1S/C34H38ClN7O5/c1-20-24(5-4-6-26(20)40-32(45)28-11-8-21(17-36-15-16-43)34(42-28)47-3)31-30(35)25(13-14-38-31)27-10-7-22(33(41-27)46-2)18-37-19-23-9-12-29(44)39-23/h4-8,10-11,13-14,23,36-37,43H,9,12,15-19H2,1-3H3,(H,39,44)(H,40,45)
• InChIKey: KHPIROGIMBMFPO-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 159.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	660.18
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide (CID 171490330) is N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide.

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

The canonical SMILES for N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide is COc1nc(C(=O)Nc2cccc(-c3nccc(-c4ccc(CNCC5CCC(=O)N5)c(OC)n4)c3Cl)c2C)ccc1CNCCO.

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

The InChIKey is KHPIROGIMBMFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38ClN7O5/c1-20-24(5-4-6-26(20)40-32(45)28-11-8-21(17-36-15-16-43)34(42-28)47-3)31-30(35)25(13-14-38-31)27-10-7-22(33(41-27)46-2)18-37-19-23-9-12-29(44)39-23/h4-8,10-11,13-14,23,36-37,43H,9,12,15-19H2,1-3H3,(H,39,44)(H,40,45).

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

N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide has a molecular weight of 660.18 g/mol, XLogP of 3.89, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-chloro-4-[6-methoxy-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide is sourced from PubChem (CID 171490330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).