5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide

C17H21N5O — CID 109277176

IUPAC5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(N2CCc3ccccc32)cn1
InChIInChI=1S/C17H21N5O/c1-21(2)10-8-18-17(23)14-11-20-16(12-19-14)22-9-7-13-5-3-4-6-15(13)22/h3-6,11-12H,7-10H2,1-2H3,(H,18,23)
InChIKeyZKBFRBOWPOJDOJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.46
Rot. Bonds5

About 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide

5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 109277176) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
PubChem CID109277176
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(N2CCc3ccccc32)cn1
InChIInChI=1S/C17H21N5O/c1-21(2)10-8-18-17(23)14-11-20-16(12-19-14)22-9-7-13-5-3-4-6-15(13)22/h3-6,11-12H,7-10H2,1-2H3,(H,18,23)
InChIKeyZKBFRBOWPOJDOJ-UHFFFAOYSA-N
XLogP1.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252753
5-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284439
5-(2,3-dihydroindol-1-yl)-N,N-dipropylpyrazine-2-carboxamide
CID 109288910
5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280543
5-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280007
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970
5-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282417
N-cyclohexyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109274719
5-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290481
5-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109290486
N-[2-(diethylamino)ethyl]-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84570324
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 20940558

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide (CID 109277176) is 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is CN(C)CCNC(=O)c1cnc(N2CCc3ccccc32)cn1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is ZKBFRBOWPOJDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(2)10-8-18-17(23)14-11-20-16(12-19-14)22-9-7-13-5-3-4-6-15(13)22/h3-6,11-12H,7-10H2,1-2H3,(H,18,23).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide?
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109277176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).