N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide

C22H28N6O2 — CID 70688692

IUPACN,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H28N6O2/c1-25(2)22(30)19-15-17-5-3-4-6-18(17)28(19)21(29)7-10-26-11-13-27(14-12-26)20-16-23-8-9-24-20/h3-6,8-9,16,19H,7,10-15H2,1-2H3
InChIKeyOFZGHURYMRAVDK-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.03
Rot. Bonds5

About N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide

N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 70688692) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
PubChem CID70688692
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2cnccn2)CC1
InChIInChI=1S/C22H28N6O2/c1-25(2)22(30)19-15-17-5-3-4-6-18(17)28(19)21(29)7-10-26-11-13-27(14-12-26)20-16-23-8-9-24-20/h3-6,8-9,16,19H,7,10-15H2,1-2H3
InChIKeyOFZGHURYMRAVDK-UHFFFAOYSA-N
XLogP1.03
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide (CID 70688692) is N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide is CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2cnccn2)CC1.
What is the InChIKey of N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is OFZGHURYMRAVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-25(2)22(30)19-15-17-5-3-4-6-18(17)28(19)21(29)7-10-26-11-13-27(14-12-26)20-16-23-8-9-24-20/h3-6,8-9,16,19H,7,10-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 70688692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).