5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

C16H17N3O4 — CID 120685767

IUPAC5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cnc(C(=O)O)cn2)ccc1OC(C)C
InChIInChI=1S/C16H17N3O4/c1-9(2)23-14-5-4-11(6-10(14)3)19-15(20)12-7-18-13(8-17-12)16(21)22/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKeyQHXWRCUCPZLYBP-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.52
Rot. Bonds5

About 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685767) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685767
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cnc(C(=O)O)cn2)ccc1OC(C)C
InChIInChI=1S/C16H17N3O4/c1-9(2)23-14-5-4-11(6-10(14)3)19-15(20)12-7-18-13(8-17-12)16(21)22/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKeyQHXWRCUCPZLYBP-UHFFFAOYSA-N
XLogP2.52
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
5-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 104642300
1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 167831436
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
(2S)-2-amino-3,3-dimethyl-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802599
5-(methylamino)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 136554877
5-[(2-propan-2-ylindazol-6-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 167914001
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689111
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120685767) is 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is Cc1cc(NC(=O)c2cnc(C(=O)O)cn2)ccc1OC(C)C.
What is the InChIKey of 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is QHXWRCUCPZLYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-9(2)23-14-5-4-11(6-10(14)3)19-15(20)12-7-18-13(8-17-12)16(21)22/h4-9H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).