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

C16H23N3O2 — CID 106904232

IUPAC6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CN2CCCCC2CN1Cc1cccc(C(=O)O)n1
InChIInChI=1S/C16H23N3O2/c1-12-9-18-8-3-2-6-14(18)11-19(12)10-13-5-4-7-15(17-13)16(20)21/h4-5,7,12,14H,2-3,6,8-11H2,1H3,(H,20,21)
InChIKeyAFEADIXUVIYQQM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.84
Rot. Bonds3

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

6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106904232) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106904232
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CN2CCCCC2CN1Cc1cccc(C(=O)O)n1
InChIInChI=1S/C16H23N3O2/c1-12-9-18-8-3-2-6-14(18)11-19(12)10-13-5-4-7-15(17-13)16(20)21/h4-5,7,12,14H,2-3,6,8-11H2,1H3,(H,20,21)
InChIKeyAFEADIXUVIYQQM-UHFFFAOYSA-N
XLogP1.84
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
CID 106906872
2-[(6-chloro-2-pyridinyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038404
N-[[6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906876
6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904290
3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]benzoic acid
CID 79920463
[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924895
1-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 116632235
[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924464
(6-chloro-2-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 78992303
2-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]acetic acid
CID 105346114
2-methyl-6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenol
CID 112553685
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid (CID 106904232) is 6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid is CC1CN2CCCCC2CN1Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is AFEADIXUVIYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-9-18-8-3-2-6-14(18)11-19(12)10-13-5-4-7-15(17-13)16(20)21/h4-5,7,12,14H,2-3,6,8-11H2,1H3,(H,20,21).
What are the key properties of 6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid?
6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).