5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid

C16H17N3O3 — CID 120688951

IUPAC5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCN(CCCc1ccccc1)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C16H17N3O3/c1-19(9-5-8-12-6-3-2-4-7-12)15(20)13-10-18-14(11-17-13)16(21)22/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,21,22)
InChIKeyAYZXGEZEUHSVSP-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.88
Rot. Bonds6

About 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid

5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120688951) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120688951
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCN(CCCc1ccccc1)C(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C16H17N3O3/c1-19(9-5-8-12-6-3-2-4-7-12)15(20)13-10-18-14(11-17-13)16(21)22/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,21,22)
InChIKeyAYZXGEZEUHSVSP-UHFFFAOYSA-N
XLogP1.88
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(4-phenylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055292
4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide
CID 60793876
6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 63978971
5-amino-N,2-dimethyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 61040317
4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
CID 43588600
5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
CID 109287711
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
5-methyl-N-phenyl-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 47081614
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
N-methyl-N-(3-phenylpropyl)-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide
CID 50978311
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120688951) is 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid is CN(CCCc1ccccc1)C(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is AYZXGEZEUHSVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19(9-5-8-12-6-3-2-4-7-12)15(20)13-10-18-14(11-17-13)16(21)22/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,21,22).
What are the key properties of 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120688951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).