5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid

C17H19N3O4 — CID 120684984

IUPAC5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(CCC(C)NC(=O)c2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C17H19N3O4/c1-11(3-4-12-5-7-13(24-2)8-6-12)20-16(21)14-9-19-15(10-18-14)17(22)23/h5-11H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyOOYZDVNJVSPBJG-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.93
Rot. Bonds7

About 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid

5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120684984) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120684984
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(CCC(C)NC(=O)c2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C17H19N3O4/c1-11(3-4-12-5-7-13(24-2)8-6-12)20-16(21)14-9-19-15(10-18-14)17(22)23/h5-11H,3-4H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyOOYZDVNJVSPBJG-UHFFFAOYSA-N
XLogP1.93
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-methoxyphenyl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 122047940
5-(4-methoxybutan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685418
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 139899503
5-(methylamino)-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 107375133
4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119180775
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271398
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314890
5-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685628

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid (CID 120684984) is 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid is COc1ccc(CCC(C)NC(=O)c2cnc(C(=O)O)cn2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is OOYZDVNJVSPBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(3-4-12-5-7-13(24-2)8-6-12)20-16(21)14-9-19-15(10-18-14)17(22)23/h5-11H,3-4H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid?
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).