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

C14H19N3O2 — CID 115491013

IUPAC5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN3CCCCC3C2)cn1
InChIInChI=1S/C14H19N3O2/c18-14(19)13-5-4-11(9-15-13)17-8-7-16-6-2-1-3-12(16)10-17/h4-5,9,12H,1-3,6-8,10H2,(H,18,19)
InChIKeyMKKKVKVCHIXDGM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.45
Rot. Bonds2

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

5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid (PubChem CID 115491013) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
PubChem CID115491013
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN3CCCCC3C2)cn1
InChIInChI=1S/C14H19N3O2/c18-14(19)13-5-4-11(9-15-13)17-8-7-16-6-2-1-3-12(16)10-17/h4-5,9,12H,1-3,6-8,10H2,(H,18,19)
InChIKeyMKKKVKVCHIXDGM-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

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Related Compounds

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzoic acid
CID 79934834
1-[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-pyridinyl]propan-1-one
CID 115938998
5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carbothioamide
CID 115488588
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol
CID 83131405
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylbenzoic acid
CID 175538610
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylpyridine-3-carboxylic acid
CID 80632423
2-(3,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929688
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 115490753
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid (CID 115491013) is 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid is O=C(O)c1ccc(N2CCN3CCCCC3C2)cn1.
What is the InChIKey of 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid?
The InChIKey is MKKKVKVCHIXDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(19)13-5-4-11(9-15-13)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 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid?
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-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 5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115491013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).