N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide

C15H15N5O2 — CID 133283671

IUPACN-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNc2nccnc2C#N)cc1
InChIInChI=1S/C15H15N5O2/c1-22-12-4-2-11(3-5-12)15(21)20-9-8-19-14-13(10-16)17-6-7-18-14/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyIIHGGAMGICSEBF-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.20
Rot. Bonds6

About N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide

N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide (PubChem CID 133283671) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide
PubChem CID133283671
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNc2nccnc2C#N)cc1
InChIInChI=1S/C15H15N5O2/c1-22-12-4-2-11(3-5-12)15(21)20-9-8-19-14-13(10-16)17-6-7-18-14/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyIIHGGAMGICSEBF-UHFFFAOYSA-N
XLogP1.20
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284146
2-[(3-cyanopyrazin-2-yl)amino]ethylurea
CID 78993991
3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700
N-[2-[(2-cyanoacetyl)amino]ethyl]-4-methoxybenzamide
CID 108537249
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
N-[2-(2-cyano-3-fluoroanilino)ethyl]-4-methoxybenzamide
CID 47037739
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
3-(4-methoxybutylamino)pyrazine-2-carbonitrile
CID 62673581
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55878950
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55834263

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide (CID 133283671) is N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNc2nccnc2C#N)cc1.
What is the InChIKey of N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide?
The InChIKey is IIHGGAMGICSEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-22-12-4-2-11(3-5-12)15(21)20-9-8-19-14-13(10-16)17-6-7-18-14/h2-7H,8-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide?
N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide has a molecular weight of 297.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 133283671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).