5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid

C19H19N3O3 — CID 167954718

IUPAC5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC2C3CCC2Cc2ccccc2C3)cn1
InChIInChI=1S/C19H19N3O3/c23-18(15-9-21-16(10-20-15)19(24)25)22-17-13-5-6-14(17)8-12-4-2-1-3-11(12)7-13/h1-4,9-10,13-14,17H,5-8H2,(H,22,23)(H,24,25)
InChIKeyDQJNBWSBENMGNH-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.10
Rot. Bonds3

About 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid

5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 167954718) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID167954718
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC2C3CCC2Cc2ccccc2C3)cn1
InChIInChI=1S/C19H19N3O3/c23-18(15-9-21-16(10-20-15)19(24)25)22-17-13-5-6-14(17)8-12-4-2-1-3-11(12)7-13/h1-4,9-10,13-14,17H,5-8H2,(H,22,23)(H,24,25)
InChIKeyDQJNBWSBENMGNH-UHFFFAOYSA-N
XLogP2.10
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid with MolForge

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Related Compounds

5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689052
5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120692079
5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685714
5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 107258059
5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid
CID 122123842
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
CID 62953418
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789
N-(2,3-dihydro-1H-inden-2-yl)-5-hydrazinylpyridine-2-carboxamide
CID 114009488
N-cyclopentyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109273970
1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea
CID 136590657
N-cyclohexyl-5-(2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109274719

Frequently Asked Questions

What is the IUPAC name of 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid (CID 167954718) is 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NC2C3CCC2Cc2ccccc2C3)cn1.
What is the InChIKey of 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is DQJNBWSBENMGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(15-9-21-16(10-20-15)19(24)25)22-17-13-5-6-14(17)8-12-4-2-1-3-11(12)7-13/h1-4,9-10,13-14,17H,5-8H2,(H,22,23)(H,24,25).
What are the key properties of 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid?
5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 167954718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).