6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene

C36H38BrClN4O2 — CID 70036353

About 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene

6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene (PubChem CID 70036353) has the molecular formula C36H38BrClN4O2 and a molecular weight of 674.08 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene.

Molecular Properties

• Compound Name: 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene
• PubChem CID: 70036353
• Molecular Formula: C36H38BrClN4O2
• Molecular Weight: 674.08 g/mol
• Exact Mass: 672.19
• IUPAC Name: 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene
• SMILES: BrCCc1cccc2ccccc12.Nc1[nH]c(=O)c(C(=O)NCC2CCN(CCc3cccc4ccccc34)CC2)cc1Cl
• InChI: InChI=1S/C24H27ClN4O2.C12H11Br/c25-21-14-20(24(31)28-22(21)26)23(30)27-15-16-8-11-29(12-9-16)13-10-18-6-3-5-17-4-1-2-7-19(17)18;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,14,16H,8-13,15H2,(H,27,30)(H3,26,28,31);1-7H,8-9H2
• InChIKey: SNTAHTOSAMVWTJ-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 91.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.08
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene?

The IUPAC name of 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene (CID 70036353) is 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene.

What is the SMILES notation for 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene?

The canonical SMILES for 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene is BrCCc1cccc2ccccc12.Nc1[nH]c(=O)c(C(=O)NCC2CCN(CCc3cccc4ccccc34)CC2)cc1Cl.

What is the InChIKey of 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene?

The InChIKey is SNTAHTOSAMVWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2.C12H11Br/c25-21-14-20(24(31)28-22(21)26)23(30)27-15-16-8-11-29(12-9-16)13-10-18-6-3-5-17-4-1-2-7-19(17)18;13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,14,16H,8-13,15H2,(H,27,30)(H3,26,28,31);1-7H,8-9H2.

What are the key properties of 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene?

6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene has a molecular weight of 674.08 g/mol, XLogP of 7.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene is sourced from PubChem (CID 70036353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).