5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid

C17H19N3O5 — CID 120690573

IUPAC5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1cc(C)c(CN(C)C(=O)c2cnc(C(=O)O)cn2)cc1OC
InChIInChI=1S/C17H19N3O5/c1-10-5-14(24-3)15(25-4)6-11(10)9-20(2)16(21)12-7-19-13(8-18-12)17(22)23/h5-8H,9H2,1-4H3,(H,22,23)
InChIKeyUHFIMZNOPQVHSZ-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.77
Rot. Bonds6

About 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid

5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120690573) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120690573
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1cc(C)c(CN(C)C(=O)c2cnc(C(=O)O)cn2)cc1OC
InChIInChI=1S/C17H19N3O5/c1-10-5-14(24-3)15(25-4)6-11(10)9-20(2)16(21)12-7-19-13(8-18-12)17(22)23/h5-8H,9H2,1-4H3,(H,22,23)
InChIKeyUHFIMZNOPQVHSZ-UHFFFAOYSA-N
XLogP1.77
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 86849592
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
CID 120690586
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-ethoxy-N,3-dimethylbenzamide
CID 86938006
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 38009809
5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 103803183
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690580
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685501
3-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]benzoic acid
CID 120690589
N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 31234095

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid (CID 120690573) is 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid is COc1cc(C)c(CN(C)C(=O)c2cnc(C(=O)O)cn2)cc1OC.
What is the InChIKey of 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is UHFIMZNOPQVHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-10-5-14(24-3)15(25-4)6-11(10)9-20(2)16(21)12-7-19-13(8-18-12)17(22)23/h5-8H,9H2,1-4H3,(H,22,23).
What are the key properties of 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid?
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120690573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).