N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine

C29H39N5O2 — CID 69289948

IUPACN-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine
SMILESCN(Cc1cccc(OCC2CCC3CN(c4noc5ccccc45)CCN3C2)n1)C1CCCCC1
InChIInChI=1S/C29H39N5O2/c1-32(24-9-3-2-4-10-24)19-23-8-7-13-28(30-23)35-21-22-14-15-25-20-34(17-16-33(25)18-22)29-26-11-5-6-12-27(26)36-31-29/h5-8,11-13,22,24-25H,2-4,9-10,14-21H2,1H3
InChIKeyYMLRJYLCTYELDA-UHFFFAOYSA-N
MW489.66 g/mol
LogP4.97
Rot. Bonds7

About N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine

N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine (PubChem CID 69289948) has the molecular formula C29H39N5O2 and a molecular weight of 489.66 g/mol. Its IUPAC name is N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine
PubChem CID69289948
Molecular FormulaC29H39N5O2
Molecular Weight489.66 g/mol
Exact Mass489.31
IUPAC NameN-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine
SMILESCN(Cc1cccc(OCC2CCC3CN(c4noc5ccccc45)CCN3C2)n1)C1CCCCC1
InChIInChI=1S/C29H39N5O2/c1-32(24-9-3-2-4-10-24)19-23-8-7-13-28(30-23)35-21-22-14-15-25-20-34(17-16-33(25)18-22)29-26-11-5-6-12-27(26)36-31-29/h5-8,11-13,22,24-25H,2-4,9-10,14-21H2,1H3
InChIKeyYMLRJYLCTYELDA-UHFFFAOYSA-N
XLogP4.97
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine (CID 69289948) is N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine is CN(Cc1cccc(OCC2CCC3CN(c4noc5ccccc45)CCN3C2)n1)C1CCCCC1.
What is the InChIKey of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine?
The InChIKey is YMLRJYLCTYELDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O2/c1-32(24-9-3-2-4-10-24)19-23-8-7-13-28(30-23)35-21-22-14-15-25-20-34(17-16-33(25)18-22)29-26-11-5-6-12-27(26)36-31-29/h5-8,11-13,22,24-25H,2-4,9-10,14-21H2,1H3.
What are the key properties of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine?
N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine has a molecular weight of 489.66 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 69289948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).