N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide

C15H14N4O — CID 110794075

IUPACN-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)c1cnccn1
InChIInChI=1S/C15H14N4O/c1-10-12(11-4-2-3-5-13(11)19-10)8-18-15(20)14-9-16-6-7-17-14/h2-7,9,19H,8H2,1H3,(H,18,20)
InChIKeyNMJSNBXLHYWKMT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.20
Rot. Bonds3

About N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide

N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 110794075) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID110794075
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)c1cnccn1
InChIInChI=1S/C15H14N4O/c1-10-12(11-4-2-3-5-13(11)19-10)8-18-15(20)14-9-16-6-7-17-14/h2-7,9,19H,8H2,1H3,(H,18,20)
InChIKeyNMJSNBXLHYWKMT-UHFFFAOYSA-N
XLogP2.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,2-dimethylindol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794096
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
CID 110794088
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115186562
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 110746419

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide (CID 110794075) is N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide is Cc1[nH]c2ccccc2c1CNC(=O)c1cnccn1.
What is the InChIKey of N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is NMJSNBXLHYWKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-12(11-4-2-3-5-13(11)19-10)8-18-15(20)14-9-16-6-7-17-14/h2-7,9,19H,8H2,1H3,(H,18,20).
What are the key properties of N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide?
N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110794075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).