2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

C24H22N4O4 — CID 163954116

IUPAC2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c(C)n(Cc3cccnc3)c3cc(O)c(C)cc23)ccn1
InChIInChI=1S/C24H22N4O4/c1-14-9-18-19(11-20(14)29)28(13-16-5-4-7-25-12-16)15(2)22(18)23(30)24(31)27-17-6-8-26-21(10-17)32-3/h4-12,29H,13H2,1-3H3,(H,26,27,31)
InChIKeySBVWLMYVHNXGHV-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.63
Rot. Bonds6

About 2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide

2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (PubChem CID 163954116) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
PubChem CID163954116
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1cc(NC(=O)C(=O)c2c(C)n(Cc3cccnc3)c3cc(O)c(C)cc23)ccn1
InChIInChI=1S/C24H22N4O4/c1-14-9-18-19(11-20(14)29)28(13-16-5-4-7-25-12-16)15(2)22(18)23(30)24(31)27-17-6-8-26-21(10-17)32-3/h4-12,29H,13H2,1-3H3,(H,26,27,31)
InChIKeySBVWLMYVHNXGHV-UHFFFAOYSA-N
XLogP3.63
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide (CID 163954116) is 2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is COc1cc(NC(=O)C(=O)c2c(C)n(Cc3cccnc3)c3cc(O)c(C)cc23)ccn1.
What is the InChIKey of 2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
The InChIKey is SBVWLMYVHNXGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-14-9-18-19(11-20(14)29)28(13-16-5-4-7-25-12-16)15(2)22(18)23(30)24(31)27-17-6-8-26-21(10-17)32-3/h4-12,29H,13H2,1-3H3,(H,26,27,31).
What are the key properties of 2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide?
2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide has a molecular weight of 430.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxy-2,5-dimethyl-1-(pyridin-3-ylmethyl)indol-3-yl]-N-(2-methoxy-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 163954116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).