5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C16H17N3O3 — CID 120684723

IUPAC5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H17N3O3/c1-16(2,3)10-4-6-11(7-5-10)19-14(20)12-8-18-13(9-17-12)15(21)22/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKeyIDSXPRJCOVQRGF-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.72
Rot. Bonds3

About 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120684723) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120684723
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H17N3O3/c1-16(2,3)10-4-6-11(7-5-10)19-14(20)12-8-18-13(9-17-12)15(21)22/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKeyIDSXPRJCOVQRGF-UHFFFAOYSA-N
XLogP2.72
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109195203
5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
CID 109279236
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
5-tert-butyl-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 24881805
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283705
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182449
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283133

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120684723) is 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid is CC(C)(C)c1ccc(NC(=O)c2cnc(C(=O)O)cn2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is IDSXPRJCOVQRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-16(2,3)10-4-6-11(7-5-10)19-14(20)12-8-18-13(9-17-12)15(21)22/h4-9H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).