5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

C16H17N3O4 — CID 120685180

IUPAC5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCCOc1ccc(NC(=O)c2cnc(C(=O)O)cn2)c(C)c1
InChIInChI=1S/C16H17N3O4/c1-3-6-23-11-4-5-12(10(2)7-11)19-15(20)13-8-18-14(9-17-13)16(21)22/h4-5,7-9H,3,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyMOMXISHYRGPIKW-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.52
Rot. Bonds6

About 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685180) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685180
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCCCOc1ccc(NC(=O)c2cnc(C(=O)O)cn2)c(C)c1
InChIInChI=1S/C16H17N3O4/c1-3-6-23-11-4-5-12(10(2)7-11)19-15(20)13-8-18-14(9-17-13)16(21)22/h4-5,7-9H,3,6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyMOMXISHYRGPIKW-UHFFFAOYSA-N
XLogP2.52
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
2-(2-aminoethyl)-N-(2-methyl-4-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120624354
5-[(2-methyl-4-propoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122056302
2-(3,4-dichlorophenyl)-N-(2-methyl-4-propoxyphenyl)acetamide
CID 60540563
5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685047
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111926080
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)pyridine-2-carboxamide
CID 104641184
4-[3-(2-methyl-4-propoxyanilino)-3-oxopropyl]benzoic acid
CID 119181908
2-(aminomethyl)-N-(4-butoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 119739426
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 55904755

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120685180) is 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is CCCOc1ccc(NC(=O)c2cnc(C(=O)O)cn2)c(C)c1.
What is the InChIKey of 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is MOMXISHYRGPIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-6-23-11-4-5-12(10(2)7-11)19-15(20)13-8-18-14(9-17-13)16(21)22/h4-5,7-9H,3,6H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).