5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide

C19H22N4O2 — CID 10065738

IUPAC5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1
InChIInChI=1S/C19H22N4O2/c20-19(24)17-11-22-18(12-21-17)25-16-5-4-13-6-8-23(15-2-1-3-15)9-7-14(13)10-16/h4-5,10-12,15H,1-3,6-9H2,(H2,20,24)
InChIKeyUMFBMWYWAZMSMJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.32
Rot. Bonds4

About 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide

5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide (PubChem CID 10065738) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide
PubChem CID10065738
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1
InChIInChI=1S/C19H22N4O2/c20-19(24)17-11-22-18(12-21-17)25-16-5-4-13-6-8-23(15-2-1-3-15)9-7-14(13)10-16/h4-5,10-12,15H,1-3,6-9H2,(H2,20,24)
InChIKeyUMFBMWYWAZMSMJ-UHFFFAOYSA-N
XLogP2.32
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide?
The IUPAC name of 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide (CID 10065738) is 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide is NC(=O)c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1.
What is the InChIKey of 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide?
The InChIKey is UMFBMWYWAZMSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-19(24)17-11-22-18(12-21-17)25-16-5-4-13-6-8-23(15-2-1-3-15)9-7-14(13)10-16/h4-5,10-12,15H,1-3,6-9H2,(H2,20,24).
What are the key properties of 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide?
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyrazine-2-carboxamide is sourced from PubChem (CID 10065738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).