6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid

C15H21N3O2 — CID 80632423

IUPAC6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCN2CCCCC2C1
InChIInChI=1S/C15H21N3O2/c1-11-8-12(15(19)20)9-16-14(11)18-7-6-17-5-3-2-4-13(17)10-18/h8-9,13H,2-7,10H2,1H3,(H,19,20)
InChIKeyMKNNZHOWNXSPDZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.76
Rot. Bonds2

About 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid (PubChem CID 80632423) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
PubChem CID80632423
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N1CCN2CCCCC2C1
InChIInChI=1S/C15H21N3O2/c1-11-8-12(15(19)20)9-16-14(11)18-7-6-17-5-3-2-4-13(17)10-18/h8-9,13H,2-7,10H2,1H3,(H,19,20)
InChIKeyMKNNZHOWNXSPDZ-UHFFFAOYSA-N
XLogP1.76
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.76
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)-5-methylpyridine-3-carboxylic acid with MolForge

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Related Compounds

5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
2-[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634396
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
5-amino-6-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81448228
6-(4-ethyl-3-methylpiperazin-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80632175
5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 80631786
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80636109
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
CID 112699044
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine
CID 63151098
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
CID 115491013
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 79934834
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919798

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)-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid (CID 80632423) is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-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)-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N1CCN2CCCCC2C1.
What is the InChIKey of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid?
The InChIKey is MKNNZHOWNXSPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-8-12(15(19)20)9-16-14(11)18-7-6-17-5-3-2-4-13(17)10-18/h8-9,13H,2-7,10H2,1H3,(H,19,20).
What are the key properties of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid?
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.76, 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)-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80632423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).