2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide

C30H34ClN5O4 — CID 146585896

About 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide

2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 146585896) has the molecular formula C30H34ClN5O4 and a molecular weight of 564.09 g/mol. Its IUPAC name is 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide
• PubChem CID: 146585896
• Molecular Formula: C30H34ClN5O4
• Molecular Weight: 564.09 g/mol
• Exact Mass: 563.23
• IUPAC Name: 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide
• SMILES: C=CC(=O)N1CC(N(C)C(=O)Cn2c(CC)c(C(=O)N3CCc4c(ccnc4OC)C3)c3cc(Cl)cc(C)c32)C1
• InChI: InChI=1S/C30H34ClN5O4/c1-6-24-27(30(39)34-11-9-22-19(14-34)8-10-32-29(22)40-5)23-13-20(31)12-18(3)28(23)36(24)17-26(38)33(4)21-15-35(16-21)25(37)7-2/h7-8,10,12-13,21H,2,6,9,11,14-17H2,1,3-5H3
• InChIKey: FKSFBDCUSNTOFX-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 87.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.09
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide?

The IUPAC name of 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide (CID 146585896) is 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide.

What is the SMILES notation for 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide?

The canonical SMILES for 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(N(C)C(=O)Cn2c(CC)c(C(=O)N3CCc4c(ccnc4OC)C3)c3cc(Cl)cc(C)c32)C1.

What is the InChIKey of 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide?

The InChIKey is FKSFBDCUSNTOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O4/c1-6-24-27(30(39)34-11-9-22-19(14-34)8-10-32-29(22)40-5)23-13-20(31)12-18(3)28(23)36(24)17-26(38)33(4)21-15-35(16-21)25(37)7-2/h7-8,10,12-13,21H,2,6,9,11,14-17H2,1,3-5H3.

What are the key properties of 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide?

2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 564.09 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-2-ethyl-3-(5-methoxy-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl)-7-methylindol-1-yl]-N-methyl-N-(1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 146585896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).