N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide

C17H22N4O2 — CID 109273143

IUPACN-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCc2ccccc2OC)cn1
InChIInChI=1S/C17H22N4O2/c1-4-12(2)21-17(22)14-10-20-16(11-18-14)19-9-13-7-5-6-8-15(13)23-3/h5-8,10-12H,4,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyMEQBCZYIJHHZLG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.63
Rot. Bonds7

About N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide

N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109273143) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109273143
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCc2ccccc2OC)cn1
InChIInChI=1S/C17H22N4O2/c1-4-12(2)21-17(22)14-10-20-16(11-18-14)19-9-13-7-5-6-8-15(13)23-3/h5-8,10-12H,4,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyMEQBCZYIJHHZLG-UHFFFAOYSA-N
XLogP2.63
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271187
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272757
N-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282336
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291
N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282335
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
N-cyclohexyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109274660
N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282300
N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282286
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109273249
N-butan-2-yl-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340798

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide (CID 109273143) is N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is CCC(C)NC(=O)c1cnc(NCc2ccccc2OC)cn1.
What is the InChIKey of N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is MEQBCZYIJHHZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-12(2)21-17(22)14-10-20-16(11-18-14)19-9-13-7-5-6-8-15(13)23-3/h5-8,10-12H,4,9H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide?
N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109273143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).