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

C12H12N4O2 — CID 46673484

IUPAC3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nccnc2N)c1
InChIInChI=1S/C12H12N4O2/c1-18-9-4-2-3-8(7-9)16-12(17)10-11(13)15-6-5-14-10/h2-7H,1H3,(H2,13,15)(H,16,17)
InChIKeyPTSYBZULYOHBSN-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.32
Rot. Bonds3

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

3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 46673484) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID46673484
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nccnc2N)c1
InChIInChI=1S/C12H12N4O2/c1-18-9-4-2-3-8(7-9)16-12(17)10-11(13)15-6-5-14-10/h2-7H,1H3,(H2,13,15)(H,16,17)
InChIKeyPTSYBZULYOHBSN-UHFFFAOYSA-N
XLogP1.32
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
3-amino-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212469
4-amino-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 55041968
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979
3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 136525918
3-amino-N-[3-[(3-fluorophenoxy)methyl]phenyl]pyrazine-2-carboxamide
CID 38613495
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505
3-amino-N-[6-(3,5-dimethoxyphenyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 136544089
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833
3-amino-N-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136524529

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide (CID 46673484) is 3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide is COc1cccc(NC(=O)c2nccnc2N)c1.
What is the InChIKey of 3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is PTSYBZULYOHBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-9-4-2-3-8(7-9)16-12(17)10-11(13)15-6-5-14-10/h2-7H,1H3,(H2,13,15)(H,16,17).
What are the key properties of 3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide?
3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 46673484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).