5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide

C21H24N4O2 — CID 66924514

IUPAC5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(=O)Nc1cnc2c(c1)c(C(=O)NCc1ccccc1)cn2C(C)(C)C
InChIInChI=1S/C21H24N4O2/c1-14(26)24-16-10-17-18(13-25(21(2,3)4)19(17)22-12-16)20(27)23-11-15-8-6-5-7-9-15/h5-10,12-13H,11H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyVEWPSAZCJIGTGB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.68
Rot. Bonds4

About 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide

5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 66924514) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID66924514
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(=O)Nc1cnc2c(c1)c(C(=O)NCc1ccccc1)cn2C(C)(C)C
InChIInChI=1S/C21H24N4O2/c1-14(26)24-16-10-17-18(13-25(21(2,3)4)19(17)22-12-16)20(27)23-11-15-8-6-5-7-9-15/h5-10,12-13H,11H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyVEWPSAZCJIGTGB-UHFFFAOYSA-N
XLogP3.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 66924514) is 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide is CC(=O)Nc1cnc2c(c1)c(C(=O)NCc1ccccc1)cn2C(C)(C)C.
What is the InChIKey of 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is VEWPSAZCJIGTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(26)24-16-10-17-18(13-25(21(2,3)4)19(17)22-12-16)20(27)23-11-15-8-6-5-7-9-15/h5-10,12-13H,11H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide?
5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-benzyl-1-tert-butylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 66924514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).