3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide

C19H18N4O2 — CID 17443833

IUPAC3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nccnc2N)cc1Cc1ccccc1
InChIInChI=1S/C19H18N4O2/c1-25-16-8-7-15(12-14(16)11-13-5-3-2-4-6-13)23-19(24)17-18(20)22-10-9-21-17/h2-10,12H,11H2,1H3,(H2,20,22)(H,23,24)
InChIKeyRUMMZQDGHUCKJL-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.91
Rot. Bonds5

About 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide

3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 17443833) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID17443833
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nccnc2N)cc1Cc1ccccc1
InChIInChI=1S/C19H18N4O2/c1-25-16-8-7-15(12-14(16)11-13-5-3-2-4-6-13)23-19(24)17-18(20)22-10-9-21-17/h2-10,12H,11H2,1H3,(H2,20,22)(H,23,24)
InChIKeyRUMMZQDGHUCKJL-UHFFFAOYSA-N
XLogP2.91
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide (CID 17443833) is 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2nccnc2N)cc1Cc1ccccc1.
What is the InChIKey of 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is RUMMZQDGHUCKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-16-8-7-15(12-14(16)11-13-5-3-2-4-6-13)23-19(24)17-18(20)22-10-9-21-17/h2-10,12H,11H2,1H3,(H2,20,22)(H,23,24).
What are the key properties of 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide?
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 17443833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).