N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide

C25H32Cl2N4O3 — CID 66896794

About N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide

N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide (PubChem CID 66896794) has the molecular formula C25H32Cl2N4O3 and a molecular weight of 507.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide
• PubChem CID: 66896794
• Molecular Formula: C25H32Cl2N4O3
• Molecular Weight: 507.46 g/mol
• Exact Mass: 506.19
• IUPAC Name: N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide
• SMILES: COCCNc1cc(Cl)c(Cl)c(CN(C(=O)C2CNCCC2c2cc[nH]c(=O)c2C)C2CC2)c1
• InChI: InChI=1S/C25H32Cl2N4O3/c1-15-19(6-8-30-24(15)32)20-5-7-28-13-21(20)25(33)31(18-3-4-18)14-16-11-17(29-9-10-34-2)12-22(26)23(16)27/h6,8,11-12,18,20-21,28-29H,3-5,7,9-10,13-14H2,1-2H3,(H,30,32)
• InChIKey: DZJCNHCWEJGDOE-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 86.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.46
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide?

The IUPAC name of N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide (CID 66896794) is N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide is COCCNc1cc(Cl)c(Cl)c(CN(C(=O)C2CNCCC2c2cc[nH]c(=O)c2C)C2CC2)c1.

What is the InChIKey of N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide?

The InChIKey is DZJCNHCWEJGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N4O3/c1-15-19(6-8-30-24(15)32)20-5-7-28-13-21(20)25(33)31(18-3-4-18)14-16-11-17(29-9-10-34-2)12-22(26)23(16)27/h6,8,11-12,18,20-21,28-29H,3-5,7,9-10,13-14H2,1-2H3,(H,30,32).

What are the key properties of N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide?

N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide has a molecular weight of 507.46 g/mol, XLogP of 3.93, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(3-methyl-2-oxo-1H-pyridin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 66896794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).