3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C16H15N3O7 — CID 2811778

IUPAC3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C16H15N3O7/c1-24-10-6-8(16(23)26-3)9(7-11(10)25-2)19-14(20)12-13(15(21)22)18-5-4-17-12/h4-7H,1-3H3,(H,19,20)(H,21,22)
InChIKeyITVMMBHCMQFLKO-UHFFFAOYSA-N
MW361.31 g/mol
LogP1.23
Rot. Bonds6

About 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 2811778) has the molecular formula C16H15N3O7 and a molecular weight of 361.31 g/mol. Its IUPAC name is 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID2811778
Molecular FormulaC16H15N3O7
Molecular Weight361.31 g/mol
Exact Mass361.09
IUPAC Name3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nccnc1C(=O)O
InChIInChI=1S/C16H15N3O7/c1-24-10-6-8(16(23)26-3)9(7-11(10)25-2)19-14(20)12-13(15(21)22)18-5-4-17-12/h4-7H,1-3H3,(H,19,20)(H,21,22)
InChIKeyITVMMBHCMQFLKO-UHFFFAOYSA-N
XLogP1.23
TPSA136.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(2-acetyl-4,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39350763
3-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 39315015
3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866752
methyl 2-[(3,4-difluorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 17428347
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229
methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
methyl 2-[(3-iodobenzoyl)amino]-4,5-dimethoxybenzoate
CID 26176939
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
CID 119265007
methyl 2-(2,2-dimethoxypropanoylamino)-4,5-dimethoxybenzoate
CID 19849627
methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 43037508

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 2811778) is 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1nccnc1C(=O)O.
What is the InChIKey of 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is ITVMMBHCMQFLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O7/c1-24-10-6-8(16(23)26-3)9(7-11(10)25-2)19-14(20)12-13(15(21)22)18-5-4-17-12/h4-7H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 361.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 2811778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).