2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide

C23H30N4O4 — CID 153322377

IUPAC2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)Cc1c(C)n(C(C)C(C)OC)c2ncccc12
InChIInChI=1S/C23H30N4O4/c1-13-10-20(31-6)19(23(29)26-13)12-25-21(28)11-18-15(3)27(14(2)16(4)30-5)22-17(18)8-7-9-24-22/h7-10,14,16H,11-12H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyQANAHUDIPOBRIC-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.80
Rot. Bonds8

About 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide

2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 153322377) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID153322377
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)Cc1c(C)n(C(C)C(C)OC)c2ncccc12
InChIInChI=1S/C23H30N4O4/c1-13-10-20(31-6)19(23(29)26-13)12-25-21(28)11-18-15(3)27(14(2)16(4)30-5)22-17(18)8-7-9-24-22/h7-10,14,16H,11-12H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyQANAHUDIPOBRIC-UHFFFAOYSA-N
XLogP2.80
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 153322377) is 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is COc1cc(C)[nH]c(=O)c1CNC(=O)Cc1c(C)n(C(C)C(C)OC)c2ncccc12.
What is the InChIKey of 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is QANAHUDIPOBRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-13-10-20(31-6)19(23(29)26-13)12-25-21(28)11-18-15(3)27(14(2)16(4)30-5)22-17(18)8-7-9-24-22/h7-10,14,16H,11-12H2,1-6H3,(H,25,28)(H,26,29).
What are the key properties of 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxybutan-2-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 153322377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).