5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid

C16H15N3O2 — CID 167960122

IUPAC5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC=C(c3ccccc3)C2)cn1
InChIInChI=1S/C16H15N3O2/c20-16(21)14-9-18-15(10-17-14)19-8-4-7-13(11-19)12-5-2-1-3-6-12/h1-3,5-7,9-10H,4,8,11H2,(H,20,21)
InChIKeyVNZGAPHYVJFYMA-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.47
Rot. Bonds3

About 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid

5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 167960122) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
PubChem CID167960122
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC=C(c3ccccc3)C2)cn1
InChIInChI=1S/C16H15N3O2/c20-16(21)14-9-18-15(10-17-14)19-8-4-7-13(11-19)12-5-2-1-3-6-12/h1-3,5-7,9-10H,4,8,11H2,(H,20,21)
InChIKeyVNZGAPHYVJFYMA-UHFFFAOYSA-N
XLogP2.47
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
CID 122057108
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154837601
5-(4-cyano-1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylic acid
CID 166240244
5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057709
5-(4-phenoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 122053440
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053202
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119
5-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)pyrazine-2-carboxylic acid
CID 122057527
N-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
CID 15075694
5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053623

Frequently Asked Questions

What is the IUPAC name of 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid (CID 167960122) is 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC=C(c3ccccc3)C2)cn1.
What is the InChIKey of 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is VNZGAPHYVJFYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16(21)14-9-18-15(10-17-14)19-8-4-7-13(11-19)12-5-2-1-3-6-12/h1-3,5-7,9-10H,4,8,11H2,(H,20,21).
What are the key properties of 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid?
5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 167960122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).