2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

C24H22Cl2N4O3 — CID 123751326

IUPAC2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)C2c3cc(C)ccc3N(Cc3ncc(Cl)cc3Cl)C2C)ccn1
InChIInChI=1S/C24H22Cl2N4O3/c1-13-4-5-20-17(8-13)22(14(2)30(20)12-19-18(26)9-15(25)11-28-19)23(31)24(32)29-16-6-7-27-21(10-16)33-3/h4-11,14,22H,12H2,1-3H3,(H,27,29,32)
InChIKeyOPZMJKXNEIEIJE-UHFFFAOYSA-N
MW485.37 g/mol
LogP4.80
Rot. Bonds6

About 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (PubChem CID 123751326) has the molecular formula C24H22Cl2N4O3 and a molecular weight of 485.37 g/mol. Its IUPAC name is 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
PubChem CID123751326
Molecular FormulaC24H22Cl2N4O3
Molecular Weight485.37 g/mol
Exact Mass484.11
IUPAC Name2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)C2c3cc(C)ccc3N(Cc3ncc(Cl)cc3Cl)C2C)ccn1
InChIInChI=1S/C24H22Cl2N4O3/c1-13-4-5-20-17(8-13)22(14(2)30(20)12-19-18(26)9-15(25)11-28-19)23(31)24(32)29-16-6-7-27-21(10-16)33-3/h4-11,14,22H,12H2,1-3H3,(H,27,29,32)
InChIKeyOPZMJKXNEIEIJE-UHFFFAOYSA-N
XLogP4.80
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (CID 123751326) is 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is COc1cc(NC(=O)C(=O)C2c3cc(C)ccc3N(Cc3ncc(Cl)cc3Cl)C2C)ccn1.
What is the InChIKey of 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The InChIKey is OPZMJKXNEIEIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O3/c1-13-4-5-20-17(8-13)22(14(2)30(20)12-19-18(26)9-15(25)11-28-19)23(31)24(32)29-16-6-7-27-21(10-16)33-3/h4-11,14,22H,12H2,1-3H3,(H,27,29,32).
What are the key properties of 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide has a molecular weight of 485.37 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dichloro-2-pyridinyl)methyl]-2,5-dimethyl-2,3-dihydroindol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 123751326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).