6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid

C14H19N3O2 — CID 79935281

IUPAC6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN3CCCCC3C2)nc1
InChIInChI=1S/C14H19N3O2/c18-14(19)11-4-5-13(15-9-11)17-8-7-16-6-2-1-3-12(16)10-17/h4-5,9,12H,1-3,6-8,10H2,(H,18,19)
InChIKeyLVQLHNGNBDSIOA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.45
Rot. Bonds2

About 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid (PubChem CID 79935281) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
PubChem CID79935281
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN3CCCCC3C2)nc1
InChIInChI=1S/C14H19N3O2/c18-14(19)11-4-5-13(15-9-11)17-8-7-16-6-2-1-3-12(16)10-17/h4-5,9,12H,1-3,6-8,10H2,(H,18,19)
InChIKeyLVQLHNGNBDSIOA-UHFFFAOYSA-N
XLogP1.45
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

N-(2-aminophenyl)-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxamide
CID 16662758
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 79934834
4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
CID 67144831
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919798
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
CID 80632423
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
CID 115491013
6-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-3-carboxylic acid
CID 69353827
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 107227673
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid (CID 79935281) is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCN3CCCCC3C2)nc1.
What is the InChIKey of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid?
The InChIKey is LVQLHNGNBDSIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(19)11-4-5-13(15-9-11)17-8-7-16-6-2-1-3-12(16)10-17/h4-5,9,12H,1-3,6-8,10H2,(H,18,19).
What are the key properties of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid?
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79935281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).