4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile

C15H20N4 — CID 79932272

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CCN3CCCCC3C2)ccn1
InChIInChI=1S/C15H20N4/c16-10-14-9-13(4-5-17-14)11-18-7-8-19-6-2-1-3-15(19)12-18/h4-5,9,15H,1-3,6-8,11-12H2
InChIKeyGPZZWZMJMCLXPT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.62
Rot. Bonds2

About 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile (PubChem CID 79932272) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
PubChem CID79932272
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CCN3CCCCC3C2)ccn1
InChIInChI=1S/C15H20N4/c16-10-14-9-13(4-5-17-14)11-18-7-8-19-6-2-1-3-15(19)12-18/h4-5,9,15H,1-3,6-8,11-12H2
InChIKeyGPZZWZMJMCLXPT-UHFFFAOYSA-N
XLogP1.62
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridine-2-carbonitrile
CID 63885765
2-[(2-chloro-4-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78945351
4-[(3-aminopiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63882954
2-[(2-methoxy-4-pyridinyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926333
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299
4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 103533479
4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 112703461
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)benzonitrile
CID 25248763
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
4-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448856
4-[(2-cyano-4-pyridinyl)methyl]morpholine-2-carbonitrile
CID 79674868

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile (CID 79932272) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile is N#Cc1cc(CN2CCN3CCCCC3C2)ccn1.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile?
The InChIKey is GPZZWZMJMCLXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-10-14-9-13(4-5-17-14)11-18-7-8-19-6-2-1-3-15(19)12-18/h4-5,9,15H,1-3,6-8,11-12H2.
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 79932272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).