2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate

C30H32N4O3 — CID 57210072

About 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate

2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate (PubChem CID 57210072) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate
• PubChem CID: 57210072
• Molecular Formula: C30H32N4O3
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.25
• IUPAC Name: 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate
• SMILES: CC1=Nc2ccnc(OC(C)C)c2C(c2ccccc2C#N)C1C(=O)OCCN(C)Cc1ccccc1
• InChI: InChI=1S/C30H32N4O3/c1-20(2)37-29-28-25(14-15-32-29)33-21(3)26(27(28)24-13-9-8-12-23(24)18-31)30(35)36-17-16-34(4)19-22-10-6-5-7-11-22/h5-15,20,26-27H,16-17,19H2,1-4H3
• InChIKey: IQYXAZFFWFELAJ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 87.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate?

The IUPAC name of 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate (CID 57210072) is 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate.

What is the SMILES notation for 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate?

The canonical SMILES for 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate is CC1=Nc2ccnc(OC(C)C)c2C(c2ccccc2C#N)C1C(=O)OCCN(C)Cc1ccccc1.

What is the InChIKey of 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate?

The InChIKey is IQYXAZFFWFELAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-20(2)37-29-28-25(14-15-32-29)33-21(3)26(27(28)24-13-9-8-12-23(24)18-31)30(35)36-17-16-34(4)19-22-10-6-5-7-11-22/h5-15,20,26-27H,16-17,19H2,1-4H3.

What are the key properties of 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate?

2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 496.61 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl(methyl)amino]ethyl 4-(2-cyanophenyl)-2-methyl-5-propan-2-yloxy-3,4-dihydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 57210072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).