N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide

C22H30N4O — CID 139329299

IUPACN-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide
SMILESCCCC(=O)NC1=CCNC2=C1CCC1CN(Cc3ccccc3)CCN21
InChIInChI=1S/C22H30N4O/c1-2-6-21(27)24-20-11-12-23-22-19(20)10-9-18-16-25(13-14-26(18)22)15-17-7-4-3-5-8-17/h3-5,7-8,11,18,23H,2,6,9-10,12-16H2,1H3,(H,24,27)
InChIKeyAVBWKZPQDBOFKS-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.58
Rot. Bonds5

About N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide

N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide (PubChem CID 139329299) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide.

Molecular Properties

Compound NameN-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide
PubChem CID139329299
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide
SMILESCCCC(=O)NC1=CCNC2=C1CCC1CN(Cc3ccccc3)CCN21
InChIInChI=1S/C22H30N4O/c1-2-6-21(27)24-20-11-12-23-22-19(20)10-9-18-16-25(13-14-26(18)22)15-17-7-4-3-5-8-17/h3-5,7-8,11,18,23H,2,6,9-10,12-16H2,1H3,(H,24,27)
InChIKeyAVBWKZPQDBOFKS-UHFFFAOYSA-N
XLogP2.58
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide?
The IUPAC name of N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide (CID 139329299) is N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide.
What is the SMILES notation for N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide?
The canonical SMILES for N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide is CCCC(=O)NC1=CCNC2=C1CCC1CN(Cc3ccccc3)CCN21.
What is the InChIKey of N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide?
The InChIKey is AVBWKZPQDBOFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-6-21(27)24-20-11-12-23-22-19(20)10-9-18-16-25(13-14-26(18)22)15-17-7-4-3-5-8-17/h3-5,7-8,11,18,23H,2,6,9-10,12-16H2,1H3,(H,24,27).
What are the key properties of N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide?
N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide has a molecular weight of 366.51 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-1,2,5,6,6a,7,9,10-octahydropyrazino[1,2-a][1,8]naphthyridin-4-yl)butanamide is sourced from PubChem (CID 139329299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).