5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid

C15H15N3O2 — CID 122052869

IUPAC5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C15H15N3O2/c19-15(20)12-8-17-13(9-16-12)18-14(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2,(H,17,18)(H,19,20)
InChIKeyPQVWCDCTKBGSQK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.74
Rot. Bonds5

About 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid

5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122052869) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid
PubChem CID122052869
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C15H15N3O2/c19-15(20)12-8-17-13(9-16-12)18-14(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2,(H,17,18)(H,19,20)
InChIKeyPQVWCDCTKBGSQK-UHFFFAOYSA-N
XLogP2.74
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 107372454
[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133331613
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122048985
5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167745164
5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid
CID 122054901
5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685714
5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
CID 122052048
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109280917
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid (CID 122052869) is 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC(c2ccccc2)C2CC2)cn1.
What is the InChIKey of 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is PQVWCDCTKBGSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)12-8-17-13(9-16-12)18-14(11-6-7-11)10-4-2-1-3-5-10/h1-5,8-9,11,14H,6-7H2,(H,17,18)(H,19,20).
What are the key properties of 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid?
5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(phenyl)methyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122052869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).