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

C17H22N4O2 — CID 109272757

IUPAC5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C17H22N4O2/c1-12(2)8-21-17(22)14-10-20-16(11-18-14)19-9-13-6-4-5-7-15(13)23-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYOPNBGJMVCTPKT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.48
Rot. Bonds7

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

5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 109272757) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID109272757
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C17H22N4O2/c1-12(2)8-21-17(22)14-10-20-16(11-18-14)19-9-13-6-4-5-7-15(13)23-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYOPNBGJMVCTPKT-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271187
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291
N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109273143
N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282286
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248461
N-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282336
N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282335
N-cyclohexyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109274660
N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282300
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282289

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 109272757) is 5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide is COc1ccccc1CNc1cnc(C(=O)NCC(C)C)cn1.
What is the InChIKey of 5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is YOPNBGJMVCTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)8-21-17(22)14-10-20-16(11-18-14)19-9-13-6-4-5-7-15(13)23-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).