5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid

C16H17N5O3 — CID 122050955

IUPAC5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCN(Cc3ccccn3)C2=O)cn1
InChIInChI=1S/C16H17N5O3/c22-15-12(20-14-9-18-13(8-19-14)16(23)24)5-3-7-21(15)10-11-4-1-2-6-17-11/h1-2,4,6,8-9,12H,3,5,7,10H2,(H,19,20)(H,23,24)
InChIKeyRGQIZFVMTOYYOF-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.17
Rot. Bonds5

About 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid

5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 122050955) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
PubChem CID122050955
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCN(Cc3ccccn3)C2=O)cn1
InChIInChI=1S/C16H17N5O3/c22-15-12(20-14-9-18-13(8-19-14)16(23)24)5-3-7-21(15)10-11-4-1-2-6-17-11/h1-2,4,6,8-9,12H,3,5,7,10H2,(H,19,20)(H,23,24)
InChIKeyRGQIZFVMTOYYOF-UHFFFAOYSA-N
XLogP1.17
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid with MolForge

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Related Compounds

3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122009703
5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one
CID 20590041
3-methyl-1-(pyridin-2-ylmethyl)-1,4-diazocan-2-one
CID 117016241
1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one
CID 166257296
(1R,5S)-6-(pyridin-2-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133127552
(3-methylpiperidin-1-yl)-[5-(pyridin-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109283106
5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
CID 122052048
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
3-(methylamino)-4-methylidene-1-(pyridin-2-ylmethyl)azepan-2-one
CID 89340854
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
(1R,5S)-3-(5-methylpyrazine-2-carbonyl)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133129538
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74245856

Frequently Asked Questions

What is the IUPAC name of 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid (CID 122050955) is 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC2CCCN(Cc3ccccn3)C2=O)cn1.
What is the InChIKey of 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is RGQIZFVMTOYYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c22-15-12(20-14-9-18-13(8-19-14)16(23)24)5-3-7-21(15)10-11-4-1-2-6-17-11/h1-2,4,6,8-9,12H,3,5,7,10H2,(H,19,20)(H,23,24).
What are the key properties of 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid?
5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122050955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).