1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide

C34H29N5O5 — CID 67376451

About 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide

1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide (PubChem CID 67376451) has the molecular formula C34H29N5O5 and a molecular weight of 587.64 g/mol. Its IUPAC name is 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 67376451
• Molecular Formula: C34H29N5O5
• Molecular Weight: 587.64 g/mol
• Exact Mass: 587.22
• IUPAC Name: 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C5C=CC=CN5)cn(Cc5ccccc5)c4=O)nc3)c2cc1OC
• InChI: InChI=1S/C34H29N5O5/c1-42-30-17-25-28(18-31(30)43-2)36-15-13-29(25)44-24-11-12-32(37-19-24)38-33(40)26-16-23(27-10-6-7-14-35-27)21-39(34(26)41)20-22-8-4-3-5-9-22/h3-19,21,27,35H,20H2,1-2H3,(H,37,38,40)
• InChIKey: HEUZAEGLHFXRRP-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 116.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.64
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide (CID 67376451) is 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C5C=CC=CN5)cn(Cc5ccccc5)c4=O)nc3)c2cc1OC.

What is the InChIKey of 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide?

The InChIKey is HEUZAEGLHFXRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5O5/c1-42-30-17-25-28(18-31(30)43-2)36-15-13-29(25)44-24-11-12-32(37-19-24)38-33(40)26-16-23(27-10-6-7-14-35-27)21-39(34(26)41)20-22-8-4-3-5-9-22/h3-19,21,27,35H,20H2,1-2H3,(H,37,38,40).

What are the key properties of 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide?

1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide has a molecular weight of 587.64 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-(1,2-dihydropyridin-2-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 67376451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).