5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid

C18H21N3O4 — CID 120685825

IUPAC5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccccc1CC(NC(=O)c1cnc(C(=O)O)cn1)C(C)C
InChIInChI=1S/C18H21N3O4/c1-11(2)13(8-12-6-4-5-7-16(12)25-3)21-17(22)14-9-20-15(10-19-14)18(23)24/h4-7,9-11,13H,8H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyWPFHQSAVGHMVQR-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.18
Rot. Bonds7

About 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid

5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685825) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685825
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccccc1CC(NC(=O)c1cnc(C(=O)O)cn1)C(C)C
InChIInChI=1S/C18H21N3O4/c1-11(2)13(8-12-6-4-5-7-16(12)25-3)21-17(22)14-9-20-15(10-19-14)18(23)24/h4-7,9-11,13H,8H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyWPFHQSAVGHMVQR-UHFFFAOYSA-N
XLogP2.18
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methoxyphenyl)methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271187
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119813108
N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109273143
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813101
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 71864458
N-[(2S)-1-(2-methoxyphenyl)-3-methylbutan-2-yl]morpholine-4-carboxamide
CID 96525041
1-(3-hydroxypropyl)-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631495
1-(3-hydroxybutyl)-3-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]urea
CID 111631499
5-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]pyrazine-2-carboxylic acid
CID 122047834
1-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004989
5-[[(2-methoxyphenyl)methyl-(2-methylpropyl)amino]methyl]pyrazine-2-carboxylic acid
CID 137343842
5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 71074543

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid (CID 120685825) is 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid is COc1ccccc1CC(NC(=O)c1cnc(C(=O)O)cn1)C(C)C.
What is the InChIKey of 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is WPFHQSAVGHMVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(2)13(8-12-6-4-5-7-16(12)25-3)21-17(22)14-9-20-15(10-19-14)18(23)24/h4-7,9-11,13H,8H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).