5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide

C21H26N4O2 — CID 10451546

IUPAC5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)cn1
InChIInChI=1S/C21H26N4O2/c1-22-21(26)19-13-24-20(14-23-19)27-18-7-6-15-8-10-25(11-9-16(15)12-18)17-4-2-3-5-17/h6-7,12-14,17H,2-5,8-11H2,1H3,(H,22,26)
InChIKeyKUSZBSVNKXEDQW-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.97
Rot. Bonds4

About 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide

5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide (PubChem CID 10451546) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide
PubChem CID10451546
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)cn1
InChIInChI=1S/C21H26N4O2/c1-22-21(26)19-13-24-20(14-23-19)27-18-7-6-15-8-10-25(11-9-16(15)12-18)17-4-2-3-5-17/h6-7,12-14,17H,2-5,8-11H2,1H3,(H,22,26)
InChIKeyKUSZBSVNKXEDQW-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide (CID 10451546) is 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide is CNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)cn1.
What is the InChIKey of 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide?
The InChIKey is KUSZBSVNKXEDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-22-21(26)19-13-24-20(14-23-19)27-18-7-6-15-8-10-25(11-9-16(15)12-18)17-4-2-3-5-17/h6-7,12-14,17H,2-5,8-11H2,1H3,(H,22,26).
What are the key properties of 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide?
5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 10451546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).