2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide

C27H22N4O3 — CID 90562483

About 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide

2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide (PubChem CID 90562483) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide
• PubChem CID: 90562483
• Molecular Formula: C27H22N4O3
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.17
• IUPAC Name: 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide
• SMILES: CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1
• InChI: InChI=1S/C27H22N4O3/c1-2-33-23-14-13-18-8-3-5-11-21(18)25(23)27(32)29-22-12-6-4-9-19(22)16-24-30-26(31-34-24)20-10-7-15-28-17-20/h3-15,17H,2,16H2,1H3,(H,29,32)
• InChIKey: RZTSBLORNHSLOU-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide?

The IUPAC name of 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide (CID 90562483) is 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide.

What is the SMILES notation for 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide?

The canonical SMILES for 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1.

What is the InChIKey of 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide?

The InChIKey is RZTSBLORNHSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c1-2-33-23-14-13-18-8-3-5-11-21(18)25(23)27(32)29-22-12-6-4-9-19(22)16-24-30-26(31-34-24)20-10-7-15-28-17-20/h3-15,17H,2,16H2,1H3,(H,29,32).

What are the key properties of 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide?

2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90562483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).