N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide

C30H25Cl2N3O4 — CID 10303164

About N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide

N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10303164) has the molecular formula C30H25Cl2N3O4 and a molecular weight of 562.45 g/mol. Its IUPAC name is N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 10303164
• Molecular Formula: C30H25Cl2N3O4
• Molecular Weight: 562.45 g/mol
• Exact Mass: 561.12
• IUPAC Name: N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide
• SMILES: COc1ccc(CN2C(=O)C(C)(c3cc(NC(=O)c4cccnc4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1
• InChI: InChI=1S/C30H25Cl2N3O4/c1-30(23-14-21(8-10-25(23)32)34-28(36)18-5-4-12-33-16-18)24-13-20(31)7-11-26(24)35(29(30)37)17-19-6-9-22(38-2)15-27(19)39-3/h4-16H,17H2,1-3H3,(H,34,36)
• InChIKey: SKVJSYMPRSGBHW-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.45
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide (CID 10303164) is N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide is COc1ccc(CN2C(=O)C(C)(c3cc(NC(=O)c4cccnc4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1.

What is the InChIKey of N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is SKVJSYMPRSGBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2N3O4/c1-30(23-14-21(8-10-25(23)32)34-28(36)18-5-4-12-33-16-18)24-13-20(31)7-11-26(24)35(29(30)37)17-19-6-9-22(38-2)15-27(19)39-3/h4-16H,17H2,1-3H3,(H,34,36).

What are the key properties of N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide?

N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 562.45 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10303164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).