7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

C29H23ClN4O5 — CID 121475015

About 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 121475015) has the molecular formula C29H23ClN4O5 and a molecular weight of 542.98 g/mol. Its IUPAC name is 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
• PubChem CID: 121475015
• Molecular Formula: C29H23ClN4O5
• Molecular Weight: 542.98 g/mol
• Exact Mass: 542.14
• IUPAC Name: 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
• SMILES: CNC(=O)Cn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(Oc3cccnc3)cc21
• InChI: InChI=1S/C29H23ClN4O5/c1-32-28(36)15-34-14-24(22-7-6-20(12-25(22)34)39-21-3-2-8-33-13-21)26(35)16-38-27-11-17-4-5-19(30)9-18(17)10-23(27)29(31)37/h2-14H,15-16H2,1H3,(H2,31,37)(H,32,36)
• InChIKey: LWWWAOMSQBEZTL-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 125.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.98
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?

The IUPAC name of 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide (CID 121475015) is 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide.

What is the SMILES notation for 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?

The canonical SMILES for 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is CNC(=O)Cn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(Oc3cccnc3)cc21.

What is the InChIKey of 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?

The InChIKey is LWWWAOMSQBEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O5/c1-32-28(36)15-34-14-24(22-7-6-20(12-25(22)34)39-21-3-2-8-33-13-21)26(35)16-38-27-11-17-4-5-19(30)9-18(17)10-23(27)29(31)37/h2-14H,15-16H2,1H3,(H2,31,37)(H,32,36).

What are the key properties of 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide?

7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 542.98 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121475015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).