N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide

C16H16N4O — CID 110794096

IUPACN-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCc1c(CNC(=O)c2cnccn2)c2ccccc2n1C
InChIInChI=1S/C16H16N4O/c1-11-13(12-5-3-4-6-15(12)20(11)2)9-19-16(21)14-10-17-7-8-18-14/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyLTRBQDFYYWPQLJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.21
Rot. Bonds3

About N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide

N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 110794096) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID110794096
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCc1c(CNC(=O)c2cnccn2)c2ccccc2n1C
InChIInChI=1S/C16H16N4O/c1-11-13(12-5-3-4-6-15(12)20(11)2)9-19-16(21)14-10-17-7-8-18-14/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyLTRBQDFYYWPQLJ-UHFFFAOYSA-N
XLogP2.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794075
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide
CID 53163992
N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide
CID 110782396
N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110745123
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794826
N-[[1-(2-methylpropyl)indazol-3-yl]methyl]pyrazine-2-carboxamide
CID 53164110
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 49046752
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110782421
N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110782432

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide (CID 110794096) is N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide is Cc1c(CNC(=O)c2cnccn2)c2ccccc2n1C.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is LTRBQDFYYWPQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-13(12-5-3-4-6-15(12)20(11)2)9-19-16(21)14-10-17-7-8-18-14/h3-8,10H,9H2,1-2H3,(H,19,21).
What are the key properties of N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide?
N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110794096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).