N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C27H28FN3O2 — CID 134809733

About N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134809733) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
• PubChem CID: 134809733
• Molecular Formula: C27H28FN3O2
• Molecular Weight: 445.54 g/mol
• Exact Mass: 445.22
• IUPAC Name: N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
• SMILES: CC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)NCc4cccc(F)c4)cc32)cc1
• InChI: InChI=1S/C27H28FN3O2/c1-18(2)21-10-8-19(9-11-21)14-26(32)31-12-4-7-24-25(31)15-22(17-29-24)27(33)30-16-20-5-3-6-23(28)13-20/h3,5-6,8-11,13,15,17-18H,4,7,12,14,16H2,1-2H3,(H,30,33)
• InChIKey: HCVWWLJPUUFBMD-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.54
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?

The IUPAC name of N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134809733) is N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is CC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)NCc4cccc(F)c4)cc32)cc1.

What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?

The InChIKey is HCVWWLJPUUFBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-18(2)21-10-8-19(9-11-21)14-26(32)31-12-4-7-24-25(31)15-22(17-29-24)27(33)30-16-20-5-3-6-23(28)13-20/h3,5-6,8-11,13,15,17-18H,4,7,12,14,16H2,1-2H3,(H,30,33).

What are the key properties of N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?

N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134809733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).