2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

C23H29N5O — CID 166364292

IUPAC2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCc2cn(C)c3ncccc23)C(Cc2ccccc2)C1
InChIInChI=1S/C23H29N5O/c1-26-13-14-28(20(17-26)15-18-7-4-3-5-8-18)23(29)25-12-10-19-16-27(2)22-21(19)9-6-11-24-22/h3-9,11,16,20H,10,12-15,17H2,1-2H3,(H,25,29)
InChIKeyHZDRKRXTDZITJP-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.68
Rot. Bonds5

About 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 166364292) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID166364292
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCc2cn(C)c3ncccc23)C(Cc2ccccc2)C1
InChIInChI=1S/C23H29N5O/c1-26-13-14-28(20(17-26)15-18-7-4-3-5-8-18)23(29)25-12-10-19-16-27(2)22-21(19)9-6-11-24-22/h3-9,11,16,20H,10,12-15,17H2,1-2H3,(H,25,29)
InChIKeyHZDRKRXTDZITJP-UHFFFAOYSA-N
XLogP2.68
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (CID 166364292) is 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is CN1CCN(C(=O)NCCc2cn(C)c3ncccc23)C(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is HZDRKRXTDZITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-26-13-14-28(20(17-26)15-18-7-4-3-5-8-18)23(29)25-12-10-19-16-27(2)22-21(19)9-6-11-24-22/h3-9,11,16,20H,10,12-15,17H2,1-2H3,(H,25,29).
What are the key properties of 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 166364292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).