methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C22H24N4O3 — CID 112529749

About methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112529749) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
• PubChem CID: 112529749
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
• SMILES: COC(=O)N1CCc2c(cncc2C(=O)n2c(C)c(CCN)c3ccccc32)C1
• InChI: InChI=1S/C22H24N4O3/c1-14-16(7-9-23)18-5-3-4-6-20(18)26(14)21(27)19-12-24-11-15-13-25(22(28)29-2)10-8-17(15)19/h3-6,11-12H,7-10,13,23H2,1-2H3
• InChIKey: YEIHYDKHRHBTSG-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 90.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?

The IUPAC name of methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112529749) is methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

What is the SMILES notation for methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?

The canonical SMILES for methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is COC(=O)N1CCc2c(cncc2C(=O)n2c(C)c(CCN)c3ccccc32)C1.

What is the InChIKey of methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?

The InChIKey is YEIHYDKHRHBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-16(7-9-23)18-5-3-4-6-20(18)26(14)21(27)19-12-24-11-15-13-25(22(28)29-2)10-8-17(15)19/h3-6,11-12H,7-10,13,23H2,1-2H3.

What are the key properties of methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?

methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112529749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).