N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

C30H27N3O2 — CID 166200211

About N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 166200211) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
• PubChem CID: 166200211
• Molecular Formula: C30H27N3O2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.21
• IUPAC Name: N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
• SMILES: O=C(NC(Cc1ccccc1)C(=O)N1CC=C(c2cccc3ccccc23)CC1)c1cccnc1
• InChI: InChI=1S/C30H27N3O2/c34-29(25-12-7-17-31-21-25)32-28(20-22-8-2-1-3-9-22)30(35)33-18-15-24(16-19-33)27-14-6-11-23-10-4-5-13-26(23)27/h1-15,17,21,28H,16,18-20H2,(H,32,34)
• InChIKey: DECSUPZLYZJQGH-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (CID 166200211) is N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is O=C(NC(Cc1ccccc1)C(=O)N1CC=C(c2cccc3ccccc23)CC1)c1cccnc1.

What is the InChIKey of N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The InChIKey is DECSUPZLYZJQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O2/c34-29(25-12-7-17-31-21-25)32-28(20-22-8-2-1-3-9-22)30(35)33-18-15-24(16-19-33)27-14-6-11-23-10-4-5-13-26(23)27/h1-15,17,21,28H,16,18-20H2,(H,32,34).

What are the key properties of N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?

N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166200211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).