3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide

C14H16N4O3 — CID 46673346

IUPAC3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nccnc2N)cc1OC
InChIInChI=1S/C14H16N4O3/c1-20-10-4-3-9(7-11(10)21-2)8-18-14(19)12-13(15)17-6-5-16-12/h3-7H,8H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyYFPHQGBIXOQXGT-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.01
Rot. Bonds5

About 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide

3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 46673346) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID46673346
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nccnc2N)cc1OC
InChIInChI=1S/C14H16N4O3/c1-20-10-4-3-9(7-11(10)21-2)8-18-14(19)12-13(15)17-6-5-16-12/h3-7H,8H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyYFPHQGBIXOQXGT-UHFFFAOYSA-N
XLogP1.01
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62082800
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
CID 56809138
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
CID 17452742
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
CID 110492414
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide (CID 46673346) is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2nccnc2N)cc1OC.
What is the InChIKey of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is YFPHQGBIXOQXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-10-4-3-9(7-11(10)21-2)8-18-14(19)12-13(15)17-6-5-16-12/h3-7H,8H2,1-2H3,(H2,15,17)(H,18,19).
What are the key properties of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide?
3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 46673346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).