N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide

C17H18N4O2 — CID 110744887

IUPACN-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCC(=O)N1CC(CCNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C17H18N4O2/c1-12(22)21-11-13(14-4-2-3-5-16(14)21)6-7-20-17(23)15-10-18-8-9-19-15/h2-5,8-10,13H,6-7,11H2,1H3,(H,20,23)
InChIKeyHAMUPNLBACGBDE-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.75
Rot. Bonds4

About N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide

N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 110744887) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID110744887
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCC(=O)N1CC(CCNC(=O)c2cnccn2)c2ccccc21
InChIInChI=1S/C17H18N4O2/c1-12(22)21-11-13(14-4-2-3-5-16(14)21)6-7-20-17(23)15-10-18-8-9-19-15/h2-5,8-10,13H,6-7,11H2,1H3,(H,20,23)
InChIKeyHAMUPNLBACGBDE-UHFFFAOYSA-N
XLogP1.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide (CID 110744887) is N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide is CC(=O)N1CC(CCNC(=O)c2cnccn2)c2ccccc21.
What is the InChIKey of N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is HAMUPNLBACGBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(22)21-11-13(14-4-2-3-5-16(14)21)6-7-20-17(23)15-10-18-8-9-19-15/h2-5,8-10,13H,6-7,11H2,1H3,(H,20,23).
What are the key properties of N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetyl-2,3-dihydroindol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110744887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).